 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer04_M11-augccpVDZr.in
 Output=30_ibuprofen_conformer04_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/Gau-29852.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/30_ibuprofen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     29870.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer04_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 09:40:15 2021, MaxMem=  6442450944 cpu:               4.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer04_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.634600000000     -0.289354000000     -1.230513000000
  C                                                 1.477234000000     -0.735999000000     -0.213732000000
  C                                                -0.739449000000     -0.216152000000     -1.047711000000
  C                                                -1.314029000000     -0.589385000000      0.165609000000
  C                                                -0.477653000000     -1.033716000000      1.186048000000
  C                                                 0.895358000000     -1.109311000000      0.997103000000
  C                                                 2.970726000000     -0.778602000000     -0.392123000000
  C                                                 3.716610000000      0.371103000000      0.313667000000
  C                                                 3.299110000000      1.735765000000     -0.230808000000
  C                                                 5.226988000000      0.171727000000      0.198605000000
  C                                                -2.819930000000     -0.538917000000      0.366414000000
  C                                                -3.298609000000      0.879642000000      0.123443000000
  O                                                -3.719796000000      1.311520000000     -0.918273000000
  O                                                -3.170806000000      1.648102000000      1.229132000000
  H                                                 1.061897000000      0.009379000000     -2.180173000000
  H                                                -1.369308000000      0.143045000000     -1.851768000000
  H                                                -0.905706000000     -1.326876000000      2.137119000000
  H                                                 1.525155000000     -1.464620000000      1.804458000000
  H                                                 3.213870000000     -0.750950000000     -1.458443000000
  H                                                 3.354890000000     -1.727657000000     -0.007445000000
  H                                                 3.446407000000      0.332999000000      1.374915000000
  H                                                 2.227360000000      1.901968000000     -0.119193000000
  H                                                 3.541664000000      1.816780000000     -1.294470000000
  H                                                 3.822320000000      2.539192000000      0.291263000000
  H                                                 5.541448000000      0.194608000000     -0.848580000000
  H                                                 5.535582000000     -0.788131000000      0.618372000000
  H                                                 5.769492000000      0.959785000000      0.724559000000
  H                                                -3.021671000000     -0.770261000000      1.413061000000
  C                                                -3.561205000000     -1.527762000000     -0.535197000000
  H                                                -3.444471000000      2.545855000000      0.983186000000
  H                                                -4.634564000000     -1.503266000000     -0.342117000000
  H                                                -3.194719000000     -2.537711000000     -0.351766000000
  H                                                -3.403343000000     -1.285337000000     -1.584678000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 09:40:16 2021, MaxMem=  6442450944 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.634600   -0.289354   -1.230513
      2          6           0        1.477234   -0.735999   -0.213732
      3          6           0       -0.739449   -0.216152   -1.047711
      4          6           0       -1.314029   -0.589385    0.165609
      5          6           0       -0.477653   -1.033716    1.186048
      6          6           0        0.895358   -1.109311    0.997103
      7          6           0        2.970726   -0.778602   -0.392123
      8          6           0        3.716610    0.371103    0.313667
      9          6           0        3.299110    1.735765   -0.230808
     10          6           0        5.226988    0.171727    0.198605
     11          6           0       -2.819930   -0.538917    0.366414
     12          6           0       -3.298609    0.879642    0.123443
     13          8           0       -3.719796    1.311520   -0.918273
     14          8           0       -3.170806    1.648102    1.229132
     15          1           0        1.061897    0.009379   -2.180173
     16          1           0       -1.369308    0.143045   -1.851768
     17          1           0       -0.905706   -1.326876    2.137119
     18          1           0        1.525155   -1.464620    1.804458
     19          1           0        3.213870   -0.750950   -1.458443
     20          1           0        3.354890   -1.727657   -0.007445
     21          1           0        3.446407    0.332999    1.374915
     22          1           0        2.227360    1.901968   -0.119193
     23          1           0        3.541664    1.816780   -1.294470
     24          1           0        3.822320    2.539192    0.291263
     25          1           0        5.541448    0.194608   -0.848580
     26          1           0        5.535582   -0.788131    0.618372
     27          1           0        5.769492    0.959785    0.724559
     28          1           0       -3.021671   -0.770261    1.413061
     29          6           0       -3.561205   -1.527762   -0.535197
     30          1           0       -3.444471    2.545855    0.983186
     31          1           0       -4.634564   -1.503266   -0.342117
     32          1           0       -3.194719   -2.537711   -0.351766
     33          1           0       -3.403343   -1.285337   -1.584678
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.394047   0.000000
     3  C    1.388087   2.424757   0.000000
     4  C    2.415850   2.820735   1.393410   0.000000
     5  C    2.762417   2.422726   2.393037   1.392211   0.000000
     6  C    2.388011   1.394297   2.766151   2.417250   1.388011
     7  C    2.529772   1.504712   3.809402   4.325043   3.800924
     8  C    3.509912   2.553161   4.696241   5.123650   4.508482
     9  C    3.492869   3.070691   4.559306   5.181170   4.893000
    10  C    4.831667   3.880031   6.107546   6.585232   5.913634
    11  C    3.813953   4.340625   2.536203   1.520068   2.530393
    12  C    4.320866   5.052985   3.020210   2.469489   3.570415
    13  O    4.649845   5.630083   3.351567   3.252069   4.521039
    14  O    4.927951   5.419416   3.817192   3.095973   3.800931
    15  H    1.083364   2.143591   2.139669   3.392084   3.845739
    16  H    2.142096   3.399806   1.082706   2.146933   3.377594
    17  H    3.845769   3.399123   3.377054   2.144172   1.083378
    18  H    3.374224   2.146224   3.849931   3.393056   2.139941
    19  H    2.630144   2.136688   4.010417   4.813057   4.549795
    20  H    3.311282   2.133432   4.486693   4.808785   4.073618
    21  H    3.883534   2.746670   4.867450   4.997496   4.159547
    22  H    2.928107   2.744175   3.761720   4.339284   4.199880
    23  H    3.590392   3.456378   4.745696   5.612416   5.516630
    24  H    4.525266   4.059720   5.494953   6.015469   5.661809
    25  H    4.945427   4.217451   6.297463   6.974295   6.471327
    26  H    5.261823   4.143103   6.517592   6.867435   6.044962
    27  H    5.634693   4.709517   6.847633   7.272456   6.573723
    28  H    4.537408   4.784117   3.401613   2.122474   2.567678
    29  C    4.429661   5.110391   3.153617   2.534064   3.565818
    30  H    5.438538   6.035425   4.366963   3.877750   4.653653
    31  H    5.479682   6.161108   4.162505   3.481223   4.453726
    32  H    4.526697   5.009228   3.449975   2.756927   3.465447
    33  H    4.174015   5.099147   2.920243   2.813021   4.037313
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.519220   0.000000
     8  C    3.258554   1.541527   0.000000
     9  C    3.921766   2.540846   1.527436   0.000000
    10  C    4.587121   2.518492   1.527819   2.519390   0.000000
    11  C    3.811362   5.845043   6.599793   6.555418   8.079979
    12  C    4.723195   6.505393   7.036199   6.662457   8.555267
    13  O    5.552363   7.029120   7.596196   7.065241   9.087986
    14  O    4.918420   6.799689   7.064368   6.633168   8.588633
    15  H    3.372578   2.731605   3.660271   3.433010   4.799263
    16  H    3.848789   4.670749   5.532421   5.192147   6.907675
    17  H    2.142616   4.660944   5.251087   5.715534   6.604058
    18  H    1.083841   2.717584   3.224099   4.187086   4.354304
    19  H    3.396119   1.094039   2.156878   2.774546   2.765824
    20  H    2.727777   1.093739   2.153775   3.471065   2.674858
    21  H    2.954801   2.141110   1.095769   2.137240   2.140136
    22  H    3.476801   2.795092   2.179170   1.090289   3.477427
    23  H    4.562483   2.806458   2.169491   1.093971   2.788510
    24  H    4.730422   3.492848   2.170780   1.091697   2.754373
    25  H    5.166517   2.786414   2.170715   2.790141   1.093620
    26  H    4.666720   2.756751   2.178377   3.477494   1.092136
    27  H    5.302134   3.478801   2.174788   2.760011   1.091775
    28  H    3.953618   6.258401   6.922125   6.995337   8.390627
    29  C    4.731173   6.576308   7.569204   7.603104   8.981039
    30  H    5.674024   7.355151   7.513913   6.899704   9.024758
    31  H    5.703398   7.639900   8.584021   8.570116  10.017394
    32  H    4.537456   6.411615   7.527979   7.774770   8.863922
    33  H    5.017510   6.504439   7.552565   7.475486   8.932287
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516733   0.000000
    13  O    2.425757   1.203781   0.000000
    14  O    2.377067   1.352558   2.241880   0.000000
    15  H    4.674860   5.007796   5.113956   5.676667   0.000000
    16  H    2.736733   2.857663   2.785954   3.873311   2.456924
    17  H    2.724065   3.827479   4.920941   3.847806   4.929102
    18  H    4.669546   5.620505   6.529145   5.663222   4.273706
    19  H    6.307282   6.897360   7.254053   7.330934   2.393738
    20  H    6.299308   7.147320   7.753540   7.450475   3.604977
    21  H    6.406582   6.881878   7.587535   6.748204   4.292932
    22  H    5.627510   5.624976   6.029579   5.569796   3.031144
    23  H    6.984105   7.048265   7.288732   7.173163   3.193808
    24  H    7.321194   7.313679   7.736515   7.111783   4.486411
    25  H    8.480973   8.919681   9.328611   9.073748   4.676946
    26  H    8.363024   9.003852   9.614148   9.061427   5.336828
    27  H    8.726543   9.088356   9.636867   8.980941   5.612681
    28  H    1.090729   2.112342   3.202547   2.429928   5.494970
    29  C    1.529773   2.509653   2.869394   3.653954   5.142161
    30  H    3.207223   1.880611   2.283623   0.970228   6.062005
    31  H    2.173679   2.771240   3.015257   3.813467   6.173833
    32  H    2.156717   3.451799   3.925967   4.474465   5.286731
    33  H    2.168934   2.759670   2.699612   4.071445   4.687139
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276308   0.000000
    18  H    4.932595   2.457381   0.000000
    19  H    4.686091   5.498242   3.742674   0.000000
    20  H    5.405469   4.786696   2.588457   1.754776   0.000000
    21  H    5.799886   4.719855   2.665924   3.042521   2.483062
    22  H    4.362528   5.033138   3.940487   3.131256   3.802366
    23  H    5.218200   6.437195   4.943405   2.593757   3.775494
    24  H    6.106317   6.380274   4.857699   3.775807   4.302757
    25  H    6.983380   7.266024   5.091391   2.585272   3.030453
    26  H    7.392306   6.639806   4.236504   3.115267   2.455560
    27  H    7.633282   7.196000   5.005828   3.771381   3.686255
    28  H    3.771411   2.304645   4.616162   6.864975   6.602649
    29  C    3.054401   3.772705   5.599020   6.881676   6.939081
    30  H    4.256379   4.772309   6.438601   7.820740   8.091697
    31  H    3.956170   4.481306   6.523145   7.963045   7.999608
    32  H    3.573316   3.591692   5.298871   6.744424   6.608489
    33  H    2.499782   4.482375   5.984019   6.639956   6.953921
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.485980   0.000000
    23  H    3.055535   1.765199   0.000000
    24  H    2.486544   1.765907   1.764992   0.000000
    25  H    3.058150   3.798719   2.613311   3.122774   0.000000
    26  H    2.488763   4.327236   3.797398   3.756773   1.765718
    27  H    2.492498   3.761160   3.126361   2.544357   1.764162
    28  H    6.561606   6.086127   7.556512   7.684473   8.909153
    29  C    7.497839   6.741186   7.887535   8.469923   9.269469
    30  H    7.248061   5.813733   7.384128   7.299661   9.467337
    31  H    8.462988   7.663636   8.875832   9.394760  10.329109
    32  H    7.438209   7.011689   8.076456   8.684887   9.166952
    33  H    7.635265   6.634107   7.611864   8.387871   9.096228
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766692   0.000000
    28  H    8.594093   8.986192   0.000000
    29  C    9.199419   9.738418   2.158846   0.000000
    30  H    9.585922   9.353054   3.370486   4.348962   0.000000
    31  H   10.240402  10.744710   2.493866   1.090862   4.423588
    32  H    8.956582   9.682357   2.503685   1.089934   5.261855
    33  H    9.219817   9.721834   3.065520   1.088623   4.612337
                   31         32         33
    31  H    0.000000
    32  H    1.772942   0.000000
    33  H    1.762769   1.769756   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.634600   -0.289354   -1.230513
      2          6           0        1.477234   -0.735999   -0.213732
      3          6           0       -0.739449   -0.216152   -1.047711
      4          6           0       -1.314029   -0.589385    0.165609
      5          6           0       -0.477653   -1.033716    1.186048
      6          6           0        0.895358   -1.109311    0.997103
      7          6           0        2.970726   -0.778602   -0.392123
      8          6           0        3.716610    0.371103    0.313667
      9          6           0        3.299110    1.735765   -0.230808
     10          6           0        5.226988    0.171727    0.198605
     11          6           0       -2.819930   -0.538917    0.366414
     12          6           0       -3.298609    0.879642    0.123443
     13          8           0       -3.719796    1.311520   -0.918273
     14          8           0       -3.170806    1.648102    1.229132
     15          1           0        1.061897    0.009379   -2.180173
     16          1           0       -1.369308    0.143045   -1.851768
     17          1           0       -0.905706   -1.326876    2.137119
     18          1           0        1.525155   -1.464620    1.804458
     19          1           0        3.213870   -0.750950   -1.458443
     20          1           0        3.354890   -1.727657   -0.007445
     21          1           0        3.446407    0.332999    1.374915
     22          1           0        2.227360    1.901968   -0.119193
     23          1           0        3.541664    1.816780   -1.294470
     24          1           0        3.822320    2.539192    0.291263
     25          1           0        5.541448    0.194608   -0.848580
     26          1           0        5.535582   -0.788131    0.618372
     27          1           0        5.769492    0.959785    0.724559
     28          1           0       -3.021671   -0.770261    1.413061
     29          6           0       -3.561205   -1.527762   -0.535197
     30          1           0       -3.444471    2.545855    0.983186
     31          1           0       -4.634564   -1.503266   -0.342117
     32          1           0       -3.194719   -2.537711   -0.351766
     33          1           0       -3.403343   -1.285337   -1.584678
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3505362           0.2618989           0.2490697
 Leave Link  202 at Mon Sep 27 09:40:17 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       973.0890188818 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Sep 27 09:40:20 2021, MaxMem=  6442450944 cpu:              18.4 elap:               2.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.12D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.57D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Mon Sep 27 09:40:22 2021, MaxMem=  6442450944 cpu:              12.7 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 09:40:23 2021, MaxMem=  6442450944 cpu:               5.5 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer04_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 09:40:26 2021, MaxMem=  6442450944 cpu:              15.8 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.373284165799    
 DIIS: error= 2.97D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.373284165799     IErMin= 1 ErrMin= 2.97D-03
 ErrMax= 2.97D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-02 BMatP= 1.87D-02
 IDIUse=3 WtCom= 9.70D-01 WtEn= 2.97D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.391 Goal=   None    Shift=    0.000
 GapD=    0.391 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.40D-02 MaxDP=9.39D+00              OVMax= 1.84D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.07D-02    CP:  2.07D+00
 E= -656.391182065915     Delta-E=       -0.017897900116 Rises=F Damp=F
 DIIS: error= 6.05D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.391182065915     IErMin= 2 ErrMin= 6.05D-04
 ErrMax= 6.05D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.94D-04 BMatP= 1.87D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.05D-03
 Coeff-Com: -0.197D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.195D-01 0.102D+01
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.50D-02 MaxDP=1.94D+00 DE=-1.79D-02 OVMax= 7.89D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.49D-03    CP:  2.29D+00  1.20D+00
 E= -656.391605270243     Delta-E=       -0.000423204328 Rises=F Damp=F
 DIIS: error= 5.87D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -656.391605270243     IErMin= 3 ErrMin= 5.87D-04
 ErrMax= 5.87D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.85D-04 BMatP= 6.94D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.87D-03
 Coeff-Com: -0.460D-01 0.503D+00 0.543D+00
 Coeff-En:   0.000D+00 0.138D+00 0.862D+00
 Coeff:     -0.458D-01 0.501D+00 0.545D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.45D-03 MaxDP=1.97D-01 DE=-4.23D-04 OVMax= 4.29D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.07D-04    CP:  2.31D+00  1.21D+00  1.10D+00
 E= -656.391989141337     Delta-E=       -0.000383871094 Rises=F Damp=F
 DIIS: error= 9.36D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.391989141337     IErMin= 4 ErrMin= 9.36D-05
 ErrMax= 9.36D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.55D-05 BMatP= 5.85D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.856D-02 0.272D-01 0.124D+00 0.858D+00
 Coeff:     -0.856D-02 0.272D-01 0.124D+00 0.858D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=3.82D-04 MaxDP=4.82D-02 DE=-3.84D-04 OVMax= 1.09D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.20D-04    CP:  2.32D+00  1.22D+00  1.17D+00  1.35D+00
 E= -656.392002091495     Delta-E=       -0.000012950157 Rises=F Damp=F
 DIIS: error= 5.95D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.392002091495     IErMin= 5 ErrMin= 5.95D-05
 ErrMax= 5.95D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.76D-06 BMatP= 1.55D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.141D-02-0.480D-01-0.963D-02 0.433D+00 0.623D+00
 Coeff:      0.141D-02-0.480D-01-0.963D-02 0.433D+00 0.623D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=6.61D-05 MaxDP=4.44D-03 DE=-1.30D-05 OVMax= 6.75D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.14D-05    CP:  2.32D+00  1.22D+00  1.18D+00  1.48D+00  1.25D+00
 E= -656.392006781328     Delta-E=       -0.000004689833 Rises=F Damp=F
 DIIS: error= 1.43D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.392006781328     IErMin= 6 ErrMin= 1.43D-05
 ErrMax= 1.43D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.54D-07 BMatP= 5.76D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.150D-02-0.216D-01-0.193D-01 0.725D-01 0.236D+00 0.731D+00
 Coeff:      0.150D-02-0.216D-01-0.193D-01 0.725D-01 0.236D+00 0.731D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=3.09D-05 MaxDP=3.39D-03 DE=-4.69D-06 OVMax= 1.55D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.26D-06    CP:  2.32D+00  1.22D+00  1.19D+00  1.50D+00  1.32D+00
                    CP:  1.29D+00
 E= -656.392007103566     Delta-E=       -0.000000322238 Rises=F Damp=F
 DIIS: error= 3.46D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.392007103566     IErMin= 7 ErrMin= 3.46D-06
 ErrMax= 3.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.46D-08 BMatP= 3.54D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.234D-03-0.107D-03-0.417D-02-0.305D-01-0.278D-02 0.203D+00
 Coeff-Com:  0.834D+00
 Coeff:      0.234D-03-0.107D-03-0.417D-02-0.305D-01-0.278D-02 0.203D+00
 Coeff:      0.834D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.80D-05 MaxDP=2.29D-03 DE=-3.22D-07 OVMax= 5.92D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.80D-06    CP:  2.32D+00  1.22D+00  1.18D+00  1.51D+00  1.33D+00
                    CP:  1.31D+00  1.26D+00
 E= -656.392007139095     Delta-E=       -0.000000035529 Rises=F Damp=F
 DIIS: error= 9.16D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.392007139095     IErMin= 8 ErrMin= 9.16D-07
 ErrMax= 9.16D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-09 BMatP= 2.46D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.702D-04 0.170D-02 0.682D-03-0.129D-01-0.186D-01-0.256D-01
 Coeff-Com:  0.172D+00 0.883D+00
 Coeff:     -0.702D-04 0.170D-02 0.682D-03-0.129D-01-0.186D-01-0.256D-01
 Coeff:      0.172D+00 0.883D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=5.50D-06 MaxDP=7.64D-04 DE=-3.55D-08 OVMax= 1.88D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.75D-06    CP:  2.32D+00  1.22D+00  1.18D+00  1.51D+00  1.34D+00
                    CP:  1.35D+00  1.31D+00  1.13D+00
 E= -656.392007142249     Delta-E=       -0.000000003154 Rises=F Damp=F
 DIIS: error= 3.40D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.392007142249     IErMin= 9 ErrMin= 3.40D-07
 ErrMax= 3.40D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.42D-10 BMatP= 1.91D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.462D-04 0.658D-03 0.645D-03-0.250D-02-0.641D-02-0.287D-01
 Coeff-Com: -0.818D-02 0.331D+00 0.713D+00
 Coeff:     -0.462D-04 0.658D-03 0.645D-03-0.250D-02-0.641D-02-0.287D-01
 Coeff:     -0.818D-02 0.331D+00 0.713D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=6.38D-07 MaxDP=5.86D-05 DE=-3.15D-09 OVMax= 8.49D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.31D-07    CP:  2.32D+00  1.22D+00  1.18D+00  1.51D+00  1.34D+00
                    CP:  1.35D+00  1.33D+00  1.19D+00  1.04D+00
 E= -656.392007142628     Delta-E=       -0.000000000379 Rises=F Damp=F
 DIIS: error= 1.58D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.392007142628     IErMin=10 ErrMin= 1.58D-07
 ErrMax= 1.58D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.10D-11 BMatP= 3.42D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.371D-05-0.472D-04 0.111D-03 0.109D-02 0.120D-02-0.516D-02
 Coeff-Com: -0.269D-01-0.305D-01 0.215D+00 0.845D+00
 Coeff:     -0.371D-05-0.472D-04 0.111D-03 0.109D-02 0.120D-02-0.516D-02
 Coeff:     -0.269D-01-0.305D-01 0.215D+00 0.845D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=8.77D-07 MaxDP=1.14D-04 DE=-3.79D-10 OVMax= 3.99D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.64D-07    CP:  2.32D+00  1.22D+00  1.18D+00  1.51D+00  1.34D+00
                    CP:  1.35D+00  1.33D+00  1.22D+00  1.09D+00  1.09D+00
 E= -656.392007142485     Delta-E=        0.000000000142 Rises=F Damp=F
 DIIS: error= 5.64D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -656.392007142628     IErMin=11 ErrMin= 5.64D-08
 ErrMax= 5.64D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.00D-12 BMatP= 4.10D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.502D-05-0.104D-03-0.490D-04 0.647D-03 0.139D-02 0.213D-02
 Coeff-Com: -0.655D-02-0.555D-01-0.327D-01 0.252D+00 0.839D+00
 Coeff:      0.502D-05-0.104D-03-0.490D-04 0.647D-03 0.139D-02 0.213D-02
 Coeff:     -0.655D-02-0.555D-01-0.327D-01 0.252D+00 0.839D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=2.27D-07 MaxDP=2.67D-05 DE= 1.42D-10 OVMax= 1.87D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.15D-08    CP:  2.32D+00  1.22D+00  1.18D+00  1.51D+00  1.34D+00
                    CP:  1.35D+00  1.33D+00  1.22D+00  1.11D+00  1.18D+00
                    CP:  1.24D+00
 E= -656.392007142675     Delta-E=       -0.000000000190 Rises=F Damp=F
 DIIS: error= 3.07D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -656.392007142675     IErMin=12 ErrMin= 3.07D-08
 ErrMax= 3.07D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.78D-13 BMatP= 6.00D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.133D-05-0.849D-05-0.246D-04-0.849D-04 0.748D-04 0.105D-02
 Coeff-Com:  0.341D-02-0.457D-02-0.379D-01-0.901D-01 0.127D+00 0.100D+01
 Coeff:      0.133D-05-0.849D-05-0.246D-04-0.849D-04 0.748D-04 0.105D-02
 Coeff:      0.341D-02-0.457D-02-0.379D-01-0.901D-01 0.127D+00 0.100D+01
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=7.08D-08 MaxDP=4.93D-06 DE=-1.90D-10 OVMax= 1.29D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  3.31D-08    CP:  2.32D+00  1.22D+00  1.18D+00  1.51D+00  1.34D+00
                    CP:  1.35D+00  1.33D+00  1.22D+00  1.12D+00  1.20D+00
                    CP:  1.42D+00  1.47D+00
 E= -656.392007142651     Delta-E=        0.000000000025 Rises=F Damp=F
 DIIS: error= 1.46D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -656.392007142675     IErMin=13 ErrMin= 1.46D-08
 ErrMax= 1.46D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-13 BMatP= 7.78D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.529D-06 0.152D-04 0.254D-05-0.124D-03-0.206D-03-0.100D-03
 Coeff-Com:  0.183D-02 0.785D-02-0.288D-02-0.614D-01-0.116D+00 0.218D+00
 Coeff-Com:  0.954D+00
 Coeff:     -0.529D-06 0.152D-04 0.254D-05-0.124D-03-0.206D-03-0.100D-03
 Coeff:      0.183D-02 0.785D-02-0.288D-02-0.614D-01-0.116D+00 0.218D+00
 Coeff:      0.954D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=4.11D-08 MaxDP=4.01D-06 DE= 2.46D-11 OVMax= 6.45D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  1.39D-08    CP:  2.32D+00  1.22D+00  1.18D+00  1.51D+00  1.34D+00
                    CP:  1.35D+00  1.34D+00  1.22D+00  1.13D+00  1.19D+00
                    CP:  1.49D+00  1.70D+00  1.33D+00
 E= -656.392007142661     Delta-E=       -0.000000000010 Rises=F Damp=F
 DIIS: error= 4.17D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -656.392007142675     IErMin=14 ErrMin= 4.17D-09
 ErrMax= 4.17D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.53D-14 BMatP= 1.36D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.347D-06 0.524D-05 0.446D-05-0.192D-04-0.701D-04-0.173D-03
 Coeff-Com: -0.709D-04 0.272D-02 0.528D-02-0.125D-02-0.486D-01-0.999D-01
 Coeff-Com:  0.252D+00 0.890D+00
 Coeff:     -0.347D-06 0.524D-05 0.446D-05-0.192D-04-0.701D-04-0.173D-03
 Coeff:     -0.709D-04 0.272D-02 0.528D-02-0.125D-02-0.486D-01-0.999D-01
 Coeff:      0.252D+00 0.890D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=1.40D-08 MaxDP=1.63D-06 DE=-1.02D-11 OVMax= 2.67D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  4.23D-09    CP:  2.32D+00  1.22D+00  1.18D+00  1.51D+00  1.34D+00
                    CP:  1.35D+00  1.34D+00  1.22D+00  1.13D+00  1.19D+00
                    CP:  1.50D+00  1.78D+00  1.48D+00  1.15D+00
 E= -656.392007142766     Delta-E=       -0.000000000106 Rises=F Damp=F
 DIIS: error= 2.83D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -656.392007142766     IErMin=15 ErrMin= 2.83D-09
 ErrMax= 2.83D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.91D-15 BMatP= 2.53D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.420D-07-0.207D-05 0.429D-06 0.226D-04 0.237D-04-0.131D-04
 Coeff-Com: -0.421D-03-0.101D-02 0.195D-02 0.128D-01 0.123D-01-0.746D-01
 Coeff-Com: -0.139D+00 0.225D+00 0.963D+00
 Coeff:      0.420D-07-0.207D-05 0.429D-06 0.226D-04 0.237D-04-0.131D-04
 Coeff:     -0.421D-03-0.101D-02 0.195D-02 0.128D-01 0.123D-01-0.746D-01
 Coeff:     -0.139D+00 0.225D+00 0.963D+00
 Gap=     0.322 Goal=   None    Shift=    0.000
 RMSDP=6.88D-09 MaxDP=3.67D-07 DE=-1.06D-10 OVMax= 1.27D-07

 SCF Done:  E(RM11) =  -656.392007143     A.U. after   15 cycles
            NFock= 15  Conv=0.69D-08     -V/T= 2.0066
 KE= 6.520926703335D+02 PE=-3.472533790096D+03 EE= 1.190960093738D+03
 Leave Link  502 at Mon Sep 27 10:14:19 2021, MaxMem=  6442450944 cpu:           16253.0 elap:            2032.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.91048257D+02

 Leave Link  801 at Mon Sep 27 10:14:20 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10255 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 2.65D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 1.87D-01 4.67D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 3.82D-02 5.85D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 4.95D-03 1.46D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 6.00D-04 3.11D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 6.73D-05 7.00D-04.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 5.08D-06 2.22D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 2.27D-07 4.41D-05.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 8.76D-09 1.26D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 3.19D-10 2.79D-06.
      9 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 1.06D-11 4.50D-07.
      8 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 3.87D-13 6.16D-08.
      1 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 2.56D-14 1.24D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 6.39D-14
 Solved reduced A of dimension   128 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.221055D+03
      2 -0.122851D+01  0.139912D+03
      3  0.205995D+01 -0.763972D+01  0.151064D+03
 Isotropic polarizability for W=    0.088559      170.68 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.253876D+03  0.400836D+02 -0.226284D+02
      2  -0.134663D+03 -0.263079D+02  0.419923D+02
      3  -0.119213D+03 -0.137757D+02 -0.193639D+02
      4  -0.426808D+02  0.832721D+02 -0.136793D+02
      5  -0.260995D+02 -0.193307D+02  0.794193D+02
      6   0.795377D+00  0.216811D+02 -0.363322D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.799907D+01 -0.756691D+01  0.235147D+02
      2  -0.558360D+00 -0.628614D+01  0.381507D+02
      3  -0.100032D+03 -0.452239D+02  0.116815D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.565139D+01 -0.203112D+02  0.225565D+02
      2   0.347108D+01 -0.144747D+02  0.198632D+03
      3  -0.827644D+02 -0.217935D+03  0.201261D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.128485D+01 -0.737018D-01  0.116035D+02
      2  -0.737018D-01 -0.177745D+01 -0.644516D+00
      3   0.116035D+02 -0.644516D+00 -0.211108D+01
 OR G Eigenvalues:   -12.1588    -1.7762    11.3313  Iso=     0.8679
 Eigenvectors:
   (1)  -0.652677   0.042330   0.756452
   (2)   0.055221   0.998440  -0.008226
   (3)   0.755621  -0.036403   0.653997
 w=    0.088559 a.u., Optical Rotation Beta=      0.8679 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      213.34 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 4.54D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.03D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 3.69D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 4.13D-02 2.42D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 3.57D-03 7.78D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 5.67D-05 1.33D-03.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 1.69D-06 1.17D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 3.54D-08 1.28D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 4.89D-10 1.85D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 5.96D-12 1.80D-07.
     30 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 6.65D-14 1.90D-08.
      9 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 4.23D-15 6.28D-09.
      4 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 3.16D-15 4.08D-09.
      4 vectors produced by pass 11 Test12= 7.00D-14 2.78D-09 XBig12= 2.67D-14 9.93D-09.
      4 vectors produced by pass 12 Test12= 7.00D-14 2.78D-09 XBig12= 4.38D-14 1.25D-08.
      4 vectors produced by pass 13 Test12= 7.00D-14 2.78D-09 XBig12= 2.92D-14 1.13D-08.
      4 vectors produced by pass 14 Test12= 7.00D-14 2.78D-09 XBig12= 4.60D-14 1.25D-08.
      3 vectors produced by pass 15 Test12= 7.00D-14 2.78D-09 XBig12= 8.66D-15 6.79D-09.
      2 vectors produced by pass 16 Test12= 7.00D-14 2.78D-09 XBig12= 3.80D-15 5.64D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   304 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 2.03D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 2.03D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.11D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.221055D+03 -0.122851D+01  0.205995D+01
      2  -0.122851D+01  0.139912D+03 -0.763972D+01
      3   0.205995D+01 -0.763972D+01  0.151064D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.799907D+01 -0.756691D+01  0.235147D+02
      2  -0.558360D+00 -0.628614D+01  0.381507D+02
      3  -0.100032D+03 -0.452239D+02  0.116815D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.253876D+03  0.400836D+02 -0.226284D+02
      2  -0.134663D+03 -0.263079D+02  0.419923D+02
      3  -0.119213D+03 -0.137757D+02 -0.193639D+02
      4  -0.426808D+02  0.832721D+02 -0.136793D+02
      5  -0.260995D+02 -0.193307D+02  0.794193D+02
      6   0.795377D+00  0.216811D+02 -0.363322D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.108581D+02 -0.902731D-01  0.837912D+00  0.549606D+01  0.208901D+01
      2  -0.902731D-01  0.143318D+01  0.143984D+00  0.208901D+01  0.192855D+01
      3   0.837912D+00  0.143984D+00  0.122735D+01 -0.140370D+00 -0.268357D+01
                 6             7             8             9            10 
      1  -0.140370D+00 -0.936352D+01  0.303527D+00 -0.422058D+00  0.291549D+02
      2  -0.268357D+01  0.303527D+00 -0.138225D+01 -0.118652D+01  0.151138D+01
      3  -0.216456D+01 -0.422058D+00 -0.118652D+01 -0.181432D+01 -0.103536D+01
                11            12            13            14            15 
      1   0.151138D+01 -0.103536D+01 -0.594666D+00  0.431755D+01  0.122858D+01
      2   0.213314D+01 -0.641753D+00  0.431755D+01 -0.761858D+00 -0.103882D+00
      3  -0.641753D+00  0.281595D+01  0.122858D+01 -0.103882D+00 -0.797552D+00
                16            17            18            19            20 
      1  -0.361399D+01  0.132903D+01  0.113775D+01  0.778021D+01 -0.637793D-01
      2   0.132903D+01  0.213877D+00 -0.700792D+00 -0.637793D-01 -0.133714D+01
      3   0.113775D+01 -0.700792D+00 -0.387839D+00 -0.642037D+00 -0.491204D+00
                21            22            23            24            25 
      1  -0.642037D+00  0.369251D+01 -0.139901D+01 -0.109076D+01 -0.121985D+02
      2  -0.491204D+00 -0.139901D+01  0.252070D+01 -0.215393D+01 -0.351676D+00
      3  -0.289826D+01 -0.109076D+01 -0.215393D+01 -0.116468D+01  0.566308D+00
                26            27            28            29            30 
      1  -0.351676D+00  0.566308D+00 -0.259303D+02 -0.823762D+00  0.982285D+00
      2  -0.873160D+00 -0.766082D+00 -0.823762D+00 -0.172871D+01  0.141686D+00
      3  -0.766082D+00 -0.155792D+01  0.982285D+00  0.141686D+00 -0.271014D+01
                31            32            33            34            35 
      1   0.210373D+01 -0.459523D+01 -0.126440D+01  0.253300D+01 -0.110739D+01
      2  -0.459523D+01  0.580109D+00  0.369106D+00 -0.110739D+01 -0.268134D-01
      3  -0.126440D+01  0.369106D+00  0.223749D-01 -0.857405D+00 -0.821750D+00
                36            37            38            39            40 
      1  -0.857405D+00  0.118595D+02 -0.310853D+00 -0.725584D+00 -0.372755D+01
      2  -0.821750D+00 -0.310853D+00 -0.242039D+01  0.119321D+01 -0.166818D+01
      3   0.968508D+00 -0.725584D+00  0.119321D+01 -0.189890D+01 -0.209146D+00
                41            42            43            44            45 
      1  -0.166818D+01 -0.209146D+00  0.101849D+02 -0.152680D+01  0.548659D+00
      2  -0.260551D+01  0.241032D+01 -0.152680D+01  0.138714D+01  0.137091D+01
      3   0.241032D+01  0.201361D+01  0.548659D+00  0.137091D+01  0.143074D+01
                46            47            48            49            50 
      1  -0.883818D+01  0.436390D+00  0.289482D+00 -0.274565D+01  0.982828D+00
      2   0.436390D+00  0.195960D+01 -0.569240D+00  0.982828D+00 -0.342777D+01
      3   0.289482D+00 -0.569240D+00  0.317919D+01  0.143597D+01  0.200122D+01
                51            52            53            54            55 
      1   0.143597D+01  0.119611D+02  0.140370D+01 -0.101648D+01 -0.145023D+02
      2   0.200122D+01  0.140370D+01  0.571769D-01  0.148367D+01 -0.208200D+01
      3   0.107300D+01 -0.101648D+01  0.148367D+01  0.699343D+00 -0.455834D+00
                56            57            58            59            60 
      1  -0.208200D+01 -0.455834D+00 -0.584521D+01 -0.733067D+01 -0.566467D+00
      2  -0.361849D+01 -0.156072D+00 -0.733067D+01  0.249221D+01 -0.177622D+01
      3  -0.156072D+00 -0.136379D+01 -0.566467D+00 -0.177622D+01 -0.117420D+00
                61            62            63            64            65 
      1  -0.559184D+01 -0.126081D+01 -0.315980D+01 -0.156687D+01  0.311043D+01
      2  -0.126081D+01 -0.326620D+01  0.511373D+00  0.311043D+01  0.390670D+01
      3  -0.315980D+01  0.511373D+00  0.543026D+01  0.970971D-01  0.407515D+00
                66            67            68            69            70 
      1   0.970971D-01  0.107275D+02  0.655100D+01  0.820685D+00  0.576741D+01
      2   0.407515D+00  0.655100D+01 -0.176751D+01  0.226398D+01  0.137107D+01
      3   0.251299D+01  0.820685D+00  0.226398D+01  0.606236D+00  0.385538D+01
                71            72            73            74            75 
      1   0.137107D+01  0.385538D+01  0.627177D+01 -0.270143D+01 -0.125696D+01
      2   0.331612D+01  0.713134D+00 -0.270143D+01 -0.376993D+01 -0.693054D+00
      3   0.713134D+00 -0.752359D+01 -0.125696D+01 -0.693054D+00 -0.191798D+01
                76            77            78            79            80 
      1  -0.370468D+01 -0.412094D+01 -0.958202D+00 -0.225427D+01 -0.967370D+00
      2  -0.412094D+01 -0.168871D+00 -0.300026D+01 -0.967370D+00 -0.411231D+01
      3  -0.958202D+00 -0.300026D+01 -0.118734D+01 -0.272116D+01 -0.203631D+01
                81            82            83            84            85 
      1  -0.272116D+01  0.535059D+01 -0.191133D+01 -0.613627D+00 -0.382113D+01
      2  -0.203631D+01 -0.191133D+01 -0.356850D+01 -0.554500D+00 -0.576735D+01
      3   0.553142D+01 -0.613627D+00 -0.554500D+00 -0.294440D+01 -0.906660D+00
                86            87            88            89            90 
      1  -0.576735D+01 -0.906660D+00 -0.207897D+01 -0.896824D+00 -0.462590D+01
      2   0.226460D+01 -0.387212D+01 -0.896824D+00 -0.392088D+01 -0.346102D+00
      3  -0.387212D+01 -0.513155D+00 -0.462590D+01 -0.346102D+00  0.463060D+01
                91            92            93            94            95 
      1   0.374860D+01  0.252868D+01  0.425299D+00  0.255111D+00  0.563429D+01
      2   0.252868D+01  0.220802D+01  0.100625D+01  0.563429D+01 -0.331886D+01
      3   0.425299D+00  0.100625D+01  0.143462D+01  0.170715D+01  0.173902D+00
                96            97            98            99           100 
      1   0.170715D+01  0.378974D+01  0.162132D+01  0.202921D+01  0.206948D+01
      2   0.173902D+00  0.162132D+01  0.218152D+01  0.196124D+01 -0.123761D+01
      3   0.153513D+01  0.202921D+01  0.196124D+01 -0.436727D+01  0.154118D+01
               101           102           103           104           105 
      1  -0.123761D+01  0.154118D+01 -0.981243D+00 -0.852054D+00 -0.134773D+01
      2  -0.242347D+00 -0.805951D+00 -0.852054D+00  0.350300D+01  0.925895D-01
      3  -0.805951D+00  0.319392D+00 -0.134773D+01  0.925895D-01 -0.123800D+01
               106           107           108           109           110 
      1   0.217605D+01 -0.204388D+01  0.119286D+01 -0.502385D+01  0.193037D+01
      2  -0.204388D+01  0.101889D+01 -0.227587D+01  0.193037D+01 -0.131138D+01
      3   0.119286D+01 -0.227587D+01  0.304494D+01 -0.347548D+01  0.677310D+00
               111           112           113           114           115 
      1  -0.347548D+01  0.262745D+01 -0.228911D+01  0.125739D+01 -0.693979D+01
      2   0.677310D+00 -0.228911D+01  0.232316D+01 -0.225938D+01  0.255439D+01
      3  -0.184156D+01  0.125739D+01 -0.225938D+01  0.191843D+01 -0.312683D+01
               116           117           118           119           120 
      1   0.255439D+01 -0.312683D+01  0.977829D+00 -0.647183D-01  0.128259D+01
      2  -0.378339D+01  0.198381D+01 -0.647183D-01  0.218059D+01  0.391567D+00
      3   0.198381D+01 -0.740976D+01  0.128259D+01  0.391567D+00  0.286166D+00
               121           122           123           124           125 
      1  -0.380818D+00  0.208092D+01  0.167456D+00  0.294251D+01 -0.114726D+01
      2   0.208092D+01 -0.513287D+01  0.922274D+00 -0.114726D+01  0.297704D+01
      3   0.167456D+00  0.922274D+00  0.996888D-01 -0.860433D+00  0.249670D+01
               126           127           128           129           130 
      1  -0.860433D+00  0.202968D+01  0.576093D+00 -0.200577D+01  0.244564D+00
      2   0.249670D+01  0.576093D+00  0.284556D+00 -0.426537D+00  0.103839D+00
      3   0.447587D+01 -0.200577D+01 -0.426537D+00  0.205078D+01 -0.708982D+00
               131           132           133           134           135 
      1   0.103839D+00 -0.708982D+00 -0.236109D+01 -0.980170D+00  0.266080D+01
      2   0.418588D+00 -0.681801D+00 -0.980170D+00 -0.126708D+01  0.170446D+01
      3  -0.681801D+00  0.224193D+01  0.266080D+01  0.170446D+01 -0.720087D+01
               136           137           138           139           140 
      1  -0.395548D+01  0.113832D+01 -0.198634D+01  0.163857D+01 -0.554378D+00
      2   0.113832D+01 -0.752215D+00  0.587911D+00 -0.554378D+00  0.591711D+00
      3  -0.198634D+01  0.587911D+00 -0.176060D+01  0.110946D+01 -0.621937D+00
               141           142           143           144           145 
      1   0.110946D+01 -0.238682D+01  0.862669D+00 -0.255146D+01 -0.216135D+01
      2  -0.621937D+00  0.862669D+00 -0.119830D+01  0.145933D+01 -0.677819D+00
      3   0.170940D+01 -0.255146D+01  0.145933D+01 -0.448505D+01  0.213126D+01
               146           147           148           149           150 
      1  -0.677819D+00  0.213126D+01 -0.493372D+00 -0.193298D+00  0.765680D+00
      2  -0.391778D+00  0.653635D+00 -0.193298D+00 -0.627656D+00  0.900858D+00
      3   0.653635D+00 -0.221153D+01  0.765680D+00  0.900858D+00 -0.242787D+01
               151           152           153           154           155 
      1   0.209036D+01  0.105772D+01 -0.275473D+01  0.378272D+01 -0.117897D+01
      2   0.105772D+01  0.158794D+01 -0.241479D+01 -0.117897D+01  0.941835D+00
      3  -0.275473D+01 -0.241479D+01  0.750249D+01  0.260711D+01 -0.110069D+01
               156           157           158           159           160 
      1   0.260711D+01 -0.172775D+01  0.739442D+00 -0.138685D+01  0.273106D+01
      2  -0.110069D+01  0.739442D+00 -0.875932D+00  0.953067D+00 -0.128055D+01
      3   0.229086D+01 -0.138685D+01  0.953067D+00 -0.204825D+01  0.292114D+01
               161           162           163           164           165 
      1  -0.128055D+01  0.292114D+01  0.930318D+00 -0.559057D-01 -0.158280D+01
      2   0.164678D+01 -0.215377D+01 -0.559057D-01  0.700568D+00  0.278045D+00
      3  -0.215377D+01  0.510165D+01 -0.158280D+01  0.278045D+00  0.135098D+01
               166           167           168           169           170 
      1   0.153829D+01  0.117389D+01 -0.642344D-01 -0.353797D+01  0.112142D+00
      2   0.117389D+01 -0.457035D+00 -0.758977D+00  0.112142D+00 -0.109208D+01
      3  -0.642344D-01 -0.758977D+00  0.681323D-01  0.242115D+01 -0.117674D+01
               171           172           173           174           175 
      1   0.242115D+01  0.411742D+01 -0.195553D+01  0.657702D+00 -0.398109D+01
      2  -0.117674D+01 -0.195553D+01  0.235052D+01 -0.695797D-01  0.347466D+01
      3  -0.635655D+01  0.657702D+00 -0.695797D-01  0.388657D+00 -0.193687D+00
               176           177           178           179           180 
      1   0.347466D+01 -0.193687D+00  0.448195D+01 -0.434803D+00  0.108324D+01
      2  -0.680937D+01  0.855106D+00 -0.434803D+00  0.205585D+01 -0.109757D+01
      3   0.855106D+00 -0.723285D+00  0.108324D+01 -0.109757D+01  0.268081D+00
               181           182           183           184           185 
      1  -0.377278D+00 -0.657138D+00  0.137722D+01 -0.132775D+01 -0.798871D+00
      2  -0.657138D+00 -0.763697D+00 -0.355758D-01 -0.798871D+00  0.204273D+00
      3   0.137722D+01 -0.355758D-01 -0.940515D+00  0.119219D+00  0.765896D+00
               186           187           188           189           190 
      1   0.119219D+00  0.218681D+01  0.154208D+00 -0.752789D+00 -0.890161D+01
      2   0.765896D+00  0.154208D+00  0.988714D+00 -0.772042D-01  0.765758D+00
      3  -0.602410D-02 -0.752789D+00 -0.772042D-01  0.743670D+01  0.500772D+00
               191           192           193           194           195 
      1   0.765758D+00  0.500772D+00  0.140404D+00 -0.144566D+01  0.616970D-01
      2  -0.215644D+01  0.735769D-01 -0.144566D+01  0.686896D+00  0.396278D+00
      3   0.735769D-01 -0.641573D+00  0.616970D-01  0.396278D+00  0.401985D+00
               196           197           198           199           200 
      1   0.617888D+00 -0.953059D-01 -0.385098D+00  0.321348D+00  0.688420D+00
      2  -0.953059D-01  0.682589D+00  0.586211D+00  0.688420D+00  0.926943D+00
      3  -0.385098D+00  0.586211D+00 -0.289628D+00 -0.106884D+01 -0.283166D+00
               201           202           203           204           205 
      1  -0.106884D+01  0.361115D+00  0.640356D+00 -0.829518D-01 -0.174286D+01
      2  -0.283166D+00  0.640356D+00  0.889641D+00 -0.801152D+00 -0.514359D+00
      3   0.133535D+01 -0.829518D-01 -0.801152D+00  0.640723D+00  0.151512D+01
               206           207           208           209           210 
      1  -0.514359D+00  0.151512D+01  0.243149D+01  0.276938D+01  0.987217D+00
      2  -0.192212D+01  0.197906D+01  0.276938D+01  0.341624D+01  0.745980D+00
      3   0.197906D+01 -0.685312D+01  0.987217D+00  0.745980D+00  0.985542D+00
               211           212           213           214           215 
      1   0.251014D+01  0.343208D+01  0.929815D+00  0.186076D+01  0.151221D+01
      2   0.343208D+01  0.708790D+01  0.205301D+01  0.151221D+01  0.346283D+01
      3   0.929815D+00  0.205301D+01  0.138604D+01  0.132960D+01  0.195546D+01
               216           217           218           219           220 
      1   0.132960D+01  0.215302D+01  0.147029D+00 -0.168179D+01  0.449944D+00
      2   0.195546D+01  0.147029D+00  0.648783D+00  0.689560D-01  0.125652D+01
      3   0.117659D+01 -0.168179D+01  0.689560D-01  0.173220D+01  0.649974D-02
               221           222           223           224           225 
      1   0.125652D+01  0.649974D-02 -0.430005D+01  0.113746D+00  0.342629D+01
      2  -0.177759D+00 -0.506487D+00  0.113746D+00 -0.923438D+00 -0.602957D-02
      3  -0.506487D+00  0.133376D+00  0.342629D+01 -0.602957D-02 -0.625427D+01
               226           227           228           229           230 
      1   0.196289D+01 -0.183688D+01  0.912216D+00 -0.384565D+01  0.344448D+01
      2  -0.183688D+01  0.186046D+01 -0.542345D+00  0.344448D+01 -0.601922D+01
      3   0.912216D+00 -0.542345D+00  0.853505D+00 -0.103748D+01  0.202852D+01
               231           232           233           234           235 
      1  -0.103748D+01  0.192795D+01 -0.940898D+00  0.167972D+01  0.510190D+01
      2   0.202852D+01 -0.940898D+00  0.218003D+01 -0.139736D+01  0.257807D+01
      3  -0.153511D+01  0.167972D+01 -0.139736D+01  0.114518D+01  0.183941D+01
               236           237           238           239           240 
      1   0.257807D+01  0.183941D+01  0.556141D+01  0.369642D+01  0.163657D+01
      2   0.200086D+01  0.913207D+00  0.369642D+01  0.359128D+01  0.190392D+01
      3   0.913207D+00  0.139726D+01  0.163657D+01  0.190392D+01  0.164854D+01
               241           242           243           244           245 
      1   0.366505D+01  0.148166D+01  0.256285D+01  0.349114D+00 -0.819215D+00
      2   0.148166D+01  0.201451D+01  0.142346D+01 -0.819215D+00 -0.524447D+00
      3   0.256285D+01  0.142346D+01  0.169765D+01  0.147358D+01  0.105075D+00
               246           247           248           249           250 
      1   0.147358D+01 -0.124876D+01 -0.106936D+01  0.224269D+00  0.260835D+01
      2   0.105075D+00 -0.106936D+01 -0.622172D+00  0.111267D+01  0.225460D+00
      3  -0.118895D+01  0.224269D+00  0.111267D+01 -0.126778D+01 -0.198215D+01
               251           252           253           254           255 
      1   0.225460D+00 -0.198215D+01  0.859852D+01 -0.239634D+00 -0.185336D+01
      2   0.140882D+01 -0.107684D+01 -0.239634D+00 -0.366014D+01 -0.794368D+00
      3  -0.107684D+01  0.620079D+01 -0.185336D+01 -0.794368D+00 -0.112142D+01
               256           257           258           259           260 
      1  -0.451468D+01 -0.395327D+01 -0.121624D+01 -0.620209D+01 -0.157694D+01
      2  -0.395327D+01  0.380313D+01 -0.148931D+01 -0.157694D+01 -0.272436D+01
      3  -0.121624D+01 -0.148931D+01 -0.185645D+01 -0.163567D+01 -0.147010D+01
               261           262           263           264           265 
      1  -0.163567D+01 -0.107100D+01  0.144923D+01  0.477227D+00  0.170894D+01
      2  -0.147010D+01  0.144923D+01 -0.200341D+01 -0.458442D+00 -0.278913D+01
      3   0.385253D+01  0.477227D+00 -0.458442D+00 -0.426964D+00 -0.520753D+00
               266           267           268           269           270 
      1  -0.278913D+01 -0.520753D+00 -0.303340D+00  0.567883D+00 -0.224161D+00
      2   0.884913D+01  0.161828D+01  0.567883D+00 -0.138630D+01  0.513810D+00
      3   0.161828D+01  0.153166D+01 -0.224161D+00  0.513810D+00  0.365746D+00
               271           272           273           274           275 
      1  -0.153046D+02 -0.221027D+01  0.251230D+00  0.191487D+00 -0.119452D+01
      2  -0.221027D+01 -0.143431D+01 -0.128266D+00 -0.119452D+01 -0.574338D+00
      3   0.251230D+00 -0.128266D+00 -0.102729D+01  0.984851D-01  0.237212D+00
               276           277           278           279           280 
      1   0.984851D-01  0.220846D+01  0.494037D+00 -0.125225D+01  0.270843D-01
      2   0.237212D+00  0.494037D+00  0.659315D+00 -0.389956D-01 -0.944846D+00
      3   0.248416D+00 -0.125225D+01 -0.389956D-01  0.139240D-01  0.349795D+00
               281           282           283           284           285 
      1  -0.944846D+00  0.349795D+00 -0.139985D+01 -0.132491D-01 -0.271019D-01
      2   0.221600D+01  0.198196D+00 -0.132491D-01 -0.864309D+01  0.892253D-01
      3   0.198196D+00  0.432976D+00 -0.271019D-01  0.892253D-01 -0.886180D+00
               286           287           288           289           290 
      1   0.102051D+01  0.278930D+00  0.121506D+00 -0.527462D+00  0.232419D+00
      2   0.278930D+00  0.132261D+01 -0.843950D+00  0.232419D+00  0.515332D+00
      3   0.121506D+00 -0.843950D+00 -0.976977D-01 -0.636795D+00  0.164644D+00
               291           292           293           294           295 
      1  -0.636795D+00  0.109259D+01  0.416988D+00  0.153099D+00 -0.187876D+01
      2   0.164644D+00  0.416988D+00  0.254956D+00 -0.438401D+00 -0.318659D+00
      3   0.300112D+00  0.153099D+00 -0.438401D+00  0.655001D+00 -0.723200D+00
               296           297 
      1  -0.318659D+00 -0.723200D+00
      2  -0.128304D+01 -0.255871D+00
      3  -0.255871D+00 -0.637515D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.140813D+01 -0.221054D+01  0.102814D+01 -0.665266D+01 -0.222302D+01
      2   0.271060D+01 -0.235252D+01  0.976138D+01 -0.191138D+01  0.133312D+01
      3   0.151723D+02 -0.154461D+01  0.290655D+01  0.809584D+01 -0.134767D+01
                 6             7             8             9            10 
      1  -0.217610D+01 -0.165815D+01  0.205776D+01  0.117193D+00 -0.118637D+01
      2  -0.327611D+01 -0.488357D+01 -0.123993D+01  0.202778D+01  0.164868D+00
      3   0.230383D+01  0.127992D+02  0.512769D+00  0.290430D+01 -0.283246D+02
                11            12            13            14            15 
      1   0.169188D+00  0.174190D+01  0.236031D+01  0.440216D+01 -0.817415D+01
      2   0.605260D+00 -0.352030D+01  0.408050D+01  0.445902D+00  0.118591D+01
      3  -0.127631D+01  0.652207D+00  0.113157D+02 -0.141584D+01 -0.615486D+00
                16            17            18            19            20 
      1  -0.302754D+01 -0.228580D+01 -0.502276D+01 -0.266336D+00  0.155112D+01
      2  -0.228025D+02 -0.127205D+01 -0.328377D+01 -0.350783D+01 -0.224658D+01
      3  -0.709228D+00 -0.139780D+01 -0.173224D+01 -0.878196D+01 -0.163768D+01
                21            22            23            24            25 
      1  -0.111020D+01  0.559241D+01 -0.183328D+01 -0.358362D+01  0.460628D+01
      2   0.308429D+01 -0.369008D+01 -0.159382D+01  0.889789D+00 -0.255215D+01
      3   0.252463D+01  0.812038D+01  0.130029D+01 -0.272101D+01  0.148828D+02
                26            27            28            29            30 
      1   0.214418D+01 -0.138606D+01  0.111187D+01  0.483844D+00 -0.249026D+01
      2   0.967698D+00 -0.337386D+00  0.952012D+00  0.210314D+01 -0.282768D+01
      3  -0.849227D+00 -0.429863D+01  0.237901D+02  0.817804D+00 -0.256170D+01
                31            32            33            34            35 
      1  -0.131044D+01  0.453108D+01 -0.814934D+01 -0.490295D+01 -0.184671D+01
      2   0.382391D+01 -0.303319D-01  0.254903D+01 -0.237744D+02  0.289449D+01
      3   0.868876D+01  0.535544D+01  0.796038D+00 -0.518400D+01 -0.196317D+01
                36            37            38            39            40 
      1  -0.328172D+01 -0.164577D+01 -0.124871D+01 -0.130615D+01 -0.575523D+01
      2  -0.226635D+01 -0.316494D+00 -0.252661D+01  0.887379D+01 -0.259839D+01
      3   0.219654D+01 -0.117781D+02 -0.681284D+00  0.290534D+01  0.138046D+02
                41            42            43            44            45 
      1   0.100275D+01  0.715001D+00 -0.185624D+01  0.408967D+01  0.235750D+01
      2   0.135925D+01 -0.195983D+01 -0.759448D+01 -0.787269D+00  0.212873D+01
      3  -0.783940D+00  0.207108D+01 -0.915193D+01  0.330471D+01  0.110064D+01
                46            47            48            49            50 
      1   0.681301D+00  0.178163D+01  0.257397D+01  0.789152D+01  0.112911D+01
      2  -0.122647D+01 -0.211072D+01  0.337919D+01 -0.308753D+01 -0.156336D+01
      3   0.117062D+02 -0.177243D+01 -0.262367D+00  0.132888D+02  0.153314D+01
                51            52            53            54            55 
      1  -0.272378D+01  0.255473D+01  0.368693D+01  0.655165D+00 -0.147224D+01
      2   0.702290D+00 -0.293304D+01  0.107882D+01 -0.910482D+00 -0.410370D+01
      3  -0.393197D+01 -0.979949D+01 -0.186156D+01 -0.944540D+00  0.154181D+02
                56            57            58            59            60 
      1   0.975669D-01 -0.711825D+00  0.992535D-02 -0.546854D+01 -0.111243D+01
      2   0.469368D+00 -0.988805D+00 -0.214277D+01 -0.110496D+02  0.963701D+00
      3   0.996227D+01  0.386136D+00  0.359934D+02 -0.735258D+00  0.646254D+01
                61            62            63            64            65 
      1  -0.429415D+00  0.425962D+01  0.492957D+01  0.186187D+01  0.976732D+00
      2  -0.212100D+02  0.305580D+00  0.206855D+02  0.455547D+01  0.166807D+01
      3   0.926653D+01  0.117886D+02  0.209132D+01 -0.197673D+02 -0.203152D+02
                66            67            68            69            70 
      1  -0.178370D+01 -0.492947D+00 -0.187809D+01 -0.228768D+01  0.348423D+00
      2   0.134528D+02  0.509127D+01  0.109679D+02  0.761347D+00  0.123848D+02
      3  -0.181607D+01 -0.254581D+02  0.683191D+01 -0.940152D+01 -0.100339D+02
                71            72            73            74            75 
      1   0.455962D+01  0.467241D+01  0.244374D+01  0.240894D+01  0.485750D+01
      2   0.365487D+01 -0.346999D+02 -0.134739D+01 -0.407355D+01 -0.496434D+01
      3  -0.138731D+02 -0.292237D+01  0.266145D+02  0.379729D+01  0.477453D+00
                76            77            78            79            80 
      1   0.307637D+01  0.940402D+01  0.200524D+01  0.679403D+01  0.871984D+01
      2  -0.513133D+01 -0.110893D+02 -0.423884D+01 -0.119885D+02 -0.699792D+01
      3   0.104231D+02 -0.741932D+01  0.880329D+01  0.111605D+01  0.122734D+02
                81            82            83            84            85 
      1  -0.121713D+02 -0.434725D+00 -0.329786D+00  0.244474D+00 -0.264310D+00
      2   0.188310D+02 -0.627424D+01 -0.239194D+01 -0.154360D+02 -0.421545D+01
      3   0.312696D+01  0.100612D+02  0.189411D+02  0.295986D+01  0.383743D+02
                86            87            88            89            90 
      1   0.118852D+01 -0.244411D+01  0.578396D+00  0.107374D+01 -0.111043D+01
      2  -0.216102D+02 -0.131993D+01 -0.310252D+02 -0.164463D+01  0.272187D+02
      3  -0.141177D+02  0.223906D+02  0.462869D+01  0.221096D+02  0.208793D+01
                91            92            93            94            95 
      1   0.104668D+01  0.422088D+00  0.199026D+01  0.206570D+01 -0.140828D+01
      2  -0.396570D+01 -0.361045D+01 -0.814477D+00 -0.380010D+01 -0.351249D+01
      3  -0.134562D+01  0.142535D+01  0.299336D+01  0.322299D+02 -0.157697D+02
                96            97            98            99           100 
      1  -0.317813D+01  0.302000D+01  0.516729D+01 -0.168485D+01 -0.795674D+00
      2  -0.693425D+01 -0.162883D+02 -0.695670D+01  0.159141D+02  0.142581D+01
      3  -0.388252D+00  0.154004D+01  0.543267D+01  0.515728D+01  0.126981D+02
               101           102           103           104           105 
      1  -0.539976D+01 -0.487621D+01 -0.636591D+00 -0.325912D+00  0.169293D+01
      2   0.324916D+01  0.464527D+01  0.195297D+01  0.140489D+01  0.114331D+02
      3  -0.149326D+02 -0.484100D+01 -0.775272D+01  0.334960D+01  0.272298D+01
               106           107           108           109           110 
      1  -0.643149D+01  0.853033D+00 -0.379938D+01  0.427970D+01  0.283485D+01
      2  -0.417707D+01  0.948438D+01 -0.173893D+02  0.101793D+02 -0.279495D+01
      3  -0.827315D+01  0.986470D+01 -0.600961D+01 -0.717095D+00 -0.410391D+01
               111           112           113           114           115 
      1   0.379231D+01 -0.348307D+00  0.806974D+00 -0.630481D+01  0.386919D+01
      2   0.897614D+01 -0.100304D+01  0.790011D+01 -0.100853D+02  0.470711D+01
      3   0.637005D+00 -0.379685D+01  0.108970D+02 -0.805426D+01  0.100480D+02
               116           117           118           119           120 
      1   0.470834D+01  0.111665D+02 -0.370448D+01  0.296997D+01  0.151788D+00
      2  -0.646556D+01  0.303141D+02 -0.585352D+01 -0.635590D+00  0.152896D+00
      3  -0.168020D+02  0.567553D+01 -0.937710D+00  0.698787D+01  0.414065D+01
               121           122           123           124           125 
      1   0.136973D+01 -0.561922D+01 -0.299920D+01 -0.240596D+01  0.713132D+01
      2  -0.199267D+01 -0.520741D+01 -0.166450D+01 -0.193986D+01 -0.726298D+01
      3   0.757020D+01 -0.123586D+02  0.353511D+01 -0.245432D+01  0.934231D+01
               126           127           128           129           130 
      1  -0.677977D+01 -0.162092D+01 -0.188186D+01  0.976736D+00 -0.590653D-01
      2  -0.150752D+02  0.463443D+01  0.833901D+00 -0.119660D+01  0.216675D+00
      3   0.818280D+01 -0.168527D+00 -0.903619D+00  0.765544D+00  0.117127D+01
               131           132           133           134           135 
      1  -0.123870D+01 -0.320182D+00  0.305639D+01  0.556056D+01 -0.470261D+01
      2  -0.122071D+00  0.532745D+00 -0.503308D+01 -0.648427D+00 -0.164614D+01
      3  -0.406558D+00  0.310327D+00  0.843279D+00  0.221367D+01 -0.156104D+01
               136           137           138           139           140 
      1  -0.263670D+01  0.300937D+01 -0.712718D+00  0.958386D+00 -0.126096D+01
      2  -0.854405D+01  0.197278D+01 -0.122924D+01  0.221284D+01 -0.633551D+00
      3   0.626368D+00 -0.160012D+01  0.745272D+00  0.919063D+00  0.110172D+01
               141           142           143           144           145 
      1  -0.727627D+00 -0.173006D+01  0.394806D+01 -0.271619D+01  0.174682D+01
      2  -0.533381D-01 -0.386797D+01  0.220995D+00  0.831911D+00  0.438027D+01
      3  -0.291565D+00  0.762034D+00 -0.261312D+01  0.173209D+01  0.281345D+01
               146           147           148           149           150 
      1  -0.991712D+00 -0.221367D+01  0.113549D+01  0.144157D+00 -0.369326D+01
      2   0.523999D+00 -0.104844D+01  0.390648D+00 -0.100378D+00  0.606410D+00
      3  -0.654981D-01 -0.207940D+01  0.182269D+01 -0.330390D+00 -0.648711D+00
               151           152           153           154           155 
      1  -0.159445D+01  0.242318D+01  0.542536D+01  0.248332D+01  0.143072D+01
      2  -0.438111D+01 -0.285464D+00 -0.119627D+01 -0.557261D+01  0.416722D+00
      3  -0.225193D+01  0.915757D+00  0.180684D+01 -0.508674D+01 -0.723225D+00
               156           157           158           159           160 
      1   0.217996D+01 -0.133401D+01  0.197104D+00 -0.374737D+01  0.219047D+01
      2  -0.617423D+00  0.932708D+00  0.141923D+00 -0.961990D+00 -0.321714D+01
      3  -0.238971D+01  0.388415D+01  0.679967D+00  0.944395D+00 -0.293747D+01
               161           162           163           164           165 
      1   0.152293D+01  0.396416D+01 -0.147145D+01 -0.624817D+00  0.114885D+01
      2  -0.186758D+00  0.203294D+01 -0.583221D+01  0.522474D+00  0.517250D+01
      3  -0.133062D+01 -0.173798D+01 -0.159641D+01 -0.341117D+01  0.755566D+00
               166           167           168           169           170 
      1   0.301404D-01 -0.301968D+00 -0.787459D+00  0.235251D+01  0.216423D+01
      2   0.467706D+00 -0.147405D+01  0.643510D+00  0.217480D+01 -0.388302D+01
      3  -0.316714D+01  0.411081D+00  0.197085D+01  0.302843D+01  0.390220D+01
               171           172           173           174           175 
      1  -0.666473D+01  0.115789D+01 -0.111822D+01  0.144758D+01 -0.166528D+01
      2  -0.210026D+02  0.477710D+01 -0.154461D+01  0.331241D+01 -0.252351D+01
      3   0.229632D+00  0.118661D+01 -0.702043D+01 -0.213214D+00 -0.420106D+01
               176           177           178           179           180 
      1   0.376401D+01 -0.346236D+01  0.158564D+01 -0.124522D+01  0.111710D+01
      2   0.585582D+01 -0.355782D+01  0.351035D+01 -0.418506D+01  0.853066D+00
      3   0.186935D+02 -0.216175D+01 -0.306647D+01 -0.663765D+01  0.200577D+01
               181           182           183           184           185 
      1  -0.203838D+01 -0.133261D+01  0.930111D+00 -0.825782D+00 -0.326701D+00
      2   0.758597D+01  0.531924D+00 -0.463652D+01  0.158693D+01  0.372171D+01
      3   0.201163D+01  0.225440D+01  0.296174D+00  0.500465D+01 -0.814882D+00
               186           187           188           189           190 
      1  -0.467850D+00  0.150743D+01  0.351286D+01 -0.423749D+01 -0.131993D+00
      2  -0.689106D+00 -0.892615D+01 -0.110497D+01  0.308767D+02 -0.112396D+01
      3  -0.299651D+01 -0.550116D-01 -0.346440D+01 -0.482054D-01 -0.271872D+02
               191           192           193           194           195 
      1   0.239420D+00  0.222792D+01 -0.280991D-01 -0.104011D+01 -0.126091D+01
      2   0.549220D+00 -0.184139D+00  0.612565D+00  0.108624D+01  0.243677D+00
      3   0.621957D+01  0.951269D+00  0.683232D+01 -0.425742D+01 -0.136766D+01
               196           197           198           199           200 
      1   0.223883D+01  0.329449D+00  0.660602D+00  0.234641D+01 -0.879413D-01
      2  -0.358576D+01  0.131155D+01 -0.957951D+00 -0.364404D+01 -0.105482D+01
      3   0.115136D+01 -0.246537D+01 -0.293551D+01 -0.270325D+01 -0.316582D+01
               201           202           203           204           205 
      1  -0.290758D+01  0.216301D+00  0.123362D+01 -0.230927D+01 -0.298596D+01
      2   0.487513D+01 -0.254009D+00 -0.237430D+01  0.159367D+01  0.884027D+00
      3  -0.579019D+00 -0.528521D+00 -0.176340D+01  0.237320D+01 -0.216153D+01
               206           207           208           209           210 
      1  -0.339556D+00  0.155268D+02 -0.280034D+01 -0.223753D+01 -0.386864D+01
      2   0.629595D+01 -0.230500D+02  0.366676D+01  0.315649D+01  0.479004D+01
      3   0.681599D+01 -0.506609D+01 -0.484645D+01 -0.875991D+01 -0.637992D+00
               211           212           213           214           215 
      1  -0.349145D+01 -0.583924D+01 -0.597745D+01 -0.355993D+01 -0.355300D+01
      2   0.331572D+01  0.783795D+01  0.598939D+01  0.372569D+01  0.703400D+01
      3  -0.353083D+01 -0.194248D+02 -0.514791D+01 -0.858741D+00 -0.102505D+02
               216           217           218           219           220 
      1  -0.360491D+01  0.279905D+00 -0.509023D+00 -0.491729D-01  0.485164D-01
      2   0.447864D+01 -0.952934D+01  0.298693D+00  0.113273D+02  0.110958D-01
      3  -0.457526D+01 -0.705150D+00 -0.461815D+01 -0.404082D+00 -0.544721D+01
               221           222           223           224           225 
      1   0.501874D-01 -0.830715D+00 -0.577824D+00  0.255731D+01  0.936437D+00
      2  -0.269677D+01  0.662189D+00  0.162192D+02  0.935518D-03 -0.368349D+02
      3   0.104663D+01  0.247028D+01 -0.768321D+00  0.603293D+01 -0.246366D+00
               226           227           228           229           230 
      1  -0.756582D+00  0.731057D+00  0.459525D+00  0.868372D+00 -0.254329D+01
      2   0.456330D+01 -0.259775D+01  0.541784D+01 -0.401000D+01  0.108733D+02
      3   0.990044D+01 -0.115866D+02  0.312502D+01 -0.154244D+02  0.344153D+02
               231           232           233           234           235 
      1  -0.168179D+01 -0.304162D+00  0.183644D+01  0.158832D+00  0.275566D+00
      2  -0.954796D+01  0.711070D+01 -0.757395D+01  0.589342D+01  0.840375D+01
      3  -0.113433D+02  0.446265D+01 -0.126920D+02  0.740011D+01 -0.127231D+02
               236           237           238           239           240 
      1   0.872366D+00 -0.950378D+00  0.436739D+00  0.121142D+01 -0.152710D+01
      2   0.434083D+01  0.938951D+01  0.697081D+01  0.981950D+01  0.100189D+02
      3  -0.131435D+02 -0.492813D+01 -0.175060D+02 -0.207264D+02 -0.106047D+02
               241           242           243           244           245 
      1  -0.548116D+00  0.153281D+01 -0.707522D+00  0.437332D+00 -0.419908D+00
      2   0.116253D+02  0.751656D+01  0.901834D+01 -0.595708D+01 -0.666168D-01
      3  -0.698212D+01 -0.121436D+02 -0.757786D+01 -0.261084D+01 -0.200073D+01
               246           247           248           249           250 
      1  -0.869381D+00 -0.704999D-01  0.106112D+00 -0.924231D+00 -0.131661D+01
      2   0.386402D+01  0.157643D+00 -0.283073D+01  0.445555D+01  0.149073D+01
      3  -0.572270D+00 -0.108606D+01 -0.125030D+01  0.302234D+01 -0.110331D+01
               251           252           253           254           255 
      1   0.267361D+01  0.341188D+01 -0.252580D+01  0.121481D+01 -0.258713D+01
      2   0.367529D+01 -0.197842D+02  0.154002D+02  0.406132D+01  0.679997D+01
      3   0.381404D+01 -0.220984D+01 -0.161747D+02 -0.168421D+02 -0.772594D-01
               256           257           258           259           260 
      1  -0.143231D+01 -0.678821D+01 -0.394133D+01 -0.949041D+00  0.140082D+01
      2   0.505920D+01  0.551218D+01  0.649260D+01  0.450277D+01  0.549396D+01
      3  -0.766497D+01  0.217839D+02 -0.433893D+01  0.967425D+00 -0.740971D+01
               261           262           263           264           265 
      1   0.955315D+01  0.989191D+00 -0.176969D+01  0.545373D+00 -0.287589D+01
      2  -0.191258D+02 -0.566114D+00  0.192826D+00  0.112382D+01 -0.110811D+00
      3  -0.471914D+01  0.309722D+01 -0.472714D+01 -0.180918D+01 -0.451277D+01
               266           267           268           269           270 
      1   0.903402D+01 -0.170059D+01  0.557014D+00 -0.131433D+01  0.100381D+01
      2  -0.278947D+01 -0.479043D+01  0.409953D+00 -0.173692D+01 -0.649243D+00
      3   0.270105D+02  0.491000D+01  0.145280D+01 -0.476781D+01  0.155407D+01
               271           272           273           274           275 
      1   0.120786D+01  0.565900D+00 -0.228641D+01  0.921027D+00  0.734579D+00
      2  -0.822774D+01 -0.317812D+00  0.787602D+01 -0.920079D+00 -0.157761D+01
      3   0.150853D+02 -0.576752D+01 -0.111593D+01 -0.369287D+01 -0.489050D+00
               276           277           278           279           280 
      1  -0.234537D+00 -0.223657D+01  0.620347D+00 -0.186601D+00  0.157923D+01
      2  -0.567859D+00  0.461952D+01 -0.899621D-01 -0.157773D+00 -0.122863D+01
      3   0.962299D+00 -0.126806D+01  0.200557D+01  0.192637D+01 -0.571930D+01
               281           282           283           284           285 
      1  -0.974662D+00  0.176198D+01 -0.469596D+00  0.545850D+01 -0.418368D+01
      2  -0.101541D+01 -0.133033D+01 -0.827202D+00 -0.239622D+00  0.299161D+01
      3   0.911371D+01 -0.317849D+00  0.561442D+01 -0.322145D+02  0.879688D+00
               286           287           288           289           290 
      1   0.788686D+00 -0.135334D+01  0.485103D+00 -0.184904D+01 -0.622801D+00
      2  -0.170778D+01  0.291243D+01  0.532181D+00  0.444875D+01  0.255430D-01
      3  -0.137712D+01  0.448540D+01 -0.332412D+01  0.161011D+01  0.112863D+01
               291           292           293           294           295 
      1   0.665022D+00 -0.295898D+00 -0.248459D+01  0.958927D+00 -0.151043D+00
      2  -0.194110D+01  0.133517D+01  0.223532D+01 -0.306810D+01 -0.200341D+01
      3   0.120465D+01  0.114252D+01  0.605698D+00 -0.188661D+01  0.148679D+01
               296           297 
      1   0.335554D+01 -0.119068D+02
      2   0.841247D-01  0.257015D+02
      3  -0.429268D+01  0.730616D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.110363D+01 -0.815419D+01  0.227694D+02  0.162605D+02 -0.290134D+01
      2   0.643082D+01  0.335490D+01 -0.872619D+01 -0.386958D+01  0.487871D+01
      3  -0.532720D+01  0.479929D+01 -0.140432D+02 -0.123909D+02 -0.197738D+01
      4  -0.154260D+01  0.243876D+01  0.205424D+00  0.882142D+01  0.445523D+01
      5   0.205876D+02  0.103763D+01 -0.711480D+01 -0.510085D+01 -0.225128D+01
      6  -0.465400D+00 -0.316573D+01  0.854880D+00 -0.746149D+00  0.360602D+01
                 6             7             8             9            10 
      1  -0.168535D+02 -0.233260D+02 -0.101548D+02  0.524692D+01  0.476321D+02
      2   0.131962D+01  0.333887D+01  0.181859D+01  0.412677D+01 -0.182350D+02
      3   0.155339D+02  0.199871D+02  0.833622D+01 -0.937369D+01 -0.293971D+02
      4  -0.398014D+01  0.391408D+01 -0.255438D+01 -0.495338D+01 -0.123824D+02
      5  -0.360618D+01  0.916873D+01 -0.451985D+01  0.636935D+01 -0.541755D+01
      6   0.119271D+02 -0.716058D+01  0.620297D+01  0.151692D+02  0.231029D+01
                11            12            13            14            15 
      1   0.775076D+01 -0.876111D+00  0.100224D+02 -0.105091D+01  0.654965D+01
      2  -0.699347D+01  0.276027D+01 -0.945096D+01  0.646171D+01 -0.119821D+01
      3  -0.757291D+00 -0.188416D+01 -0.571428D+00 -0.541080D+01 -0.535144D+01
      4   0.226062D+01 -0.321998D+01  0.173241D+02 -0.505730D+01 -0.511424D+00
      5  -0.382779D+01  0.623267D+01  0.108088D+02 -0.431336D+00 -0.160593D+01
      6  -0.363034D-01 -0.662932D+01 -0.484695D+01  0.424291D+01  0.861233D+01
                16            17            18            19            20 
      1  -0.983571D+01  0.721679D+01 -0.195933D+02 -0.742597D+00  0.527000D+01
      2  -0.612148D+00  0.505921D+01  0.205099D+01 -0.166640D+01 -0.188130D+01
      3   0.104479D+02 -0.122760D+02  0.175423D+02  0.240899D+01 -0.338870D+01
      4   0.146899D+02  0.134061D+01 -0.230941D+01  0.435322D+01 -0.238544D+00
      5  -0.147592D+02 -0.181370D+01 -0.451439D+01 -0.179412D+02  0.241099D+01
      6  -0.453521D+01  0.602565D+00 -0.581873D+01  0.344174D+01  0.505215D+01
                21            22            23            24            25 
      1  -0.271835D+02 -0.927725D+01 -0.530405D+01 -0.614673D+01  0.238810D+02
      2   0.777970D+01 -0.154315D+01  0.677227D+01 -0.345527D+00 -0.856002D+00
      3   0.194038D+02  0.108204D+02 -0.146821D+01  0.649226D+01 -0.230250D+02
      4   0.206508D+01  0.359636D+01 -0.132586D+01  0.370067D+01  0.454111D+01
      5  -0.189828D+01  0.138120D+01  0.186515D+01  0.574661D+01  0.120729D+02
      6   0.493880D+01  0.294281D+01  0.245612D+01  0.788196D+01  0.101857D+02
                26            27            28            29            30 
      1  -0.850752D+01  0.893114D+01  0.131930D+02 -0.634131D-01  0.822809D+00
      2   0.109026D+01 -0.252746D+01 -0.240948D+01  0.490168D+01  0.987260D+00
      3   0.741726D+01 -0.640368D+01 -0.107835D+02 -0.483827D+01 -0.181007D+01
      4   0.391698D+01  0.738688D+01  0.242644D+02  0.287899D+01 -0.165917D+01
      5   0.545927D+01 -0.470931D+01  0.191589D+01 -0.102097D+01  0.718457D+01
      6   0.264634D+01  0.109198D+02  0.330181D+01 -0.137413D+01  0.391953D+01
                31            32            33            34            35 
      1   0.362714D+00 -0.246151D+01  0.819576D+01 -0.893959D+01  0.993212D+01
      2   0.576374D+01  0.513311D+01 -0.200412D+01  0.188546D+01  0.380872D+01
      3  -0.612646D+01 -0.267160D+01 -0.619164D+01  0.705413D+01 -0.137408D+02
      4   0.147936D+02 -0.238567D+00  0.186257D+01  0.113206D+02  0.500892D+01
      5   0.118035D+02  0.571777D+00  0.179600D+01 -0.178155D+02  0.214157D+01
      6  -0.120227D+01  0.401492D+01  0.603902D+01 -0.155024D+01  0.864063D+00
                36            37            38            39            40 
      1  -0.227654D+02  0.111349D+02 -0.138182D+02  0.250983D+02  0.473643D+01
      2   0.354832D+01  0.323699D+00  0.120680D+02 -0.122797D+02  0.440204D+01
      3   0.192171D+02 -0.114586D+02  0.175019D+01 -0.128186D+02 -0.913847D+01
      4   0.857120D-01 -0.102847D+02 -0.105225D+01  0.423966D+01  0.150283D+02
      5  -0.311703D+01  0.147611D+02  0.204882D+01 -0.888462D+01 -0.244655D+01
      6  -0.808088D+01 -0.110158D+00 -0.547283D+01  0.551592D+01 -0.612176D+00
                41            42            43            44            45 
      1  -0.104985D+02 -0.790246D+01 -0.175006D+02 -0.560242D+01  0.977620D+01
      2   0.169343D+02 -0.101548D+02  0.132149D+01 -0.385268D+01 -0.123616D+01
      3  -0.643581D+01  0.180572D+02  0.161791D+02  0.945510D+01 -0.854004D+01
      4   0.669387D+01 -0.313429D+01 -0.436615D+01 -0.270947D+01 -0.637158D+01
      5  -0.173368D+01 -0.290138D+01  0.745057D+01 -0.577917D+01  0.842435D+01
      6  -0.614427D+01  0.606368D+01 -0.987641D+01  0.144732D+01  0.951026D+01
                46            47            48            49            50 
      1  -0.950018D+01  0.104651D+02 -0.265984D+02 -0.682888D+01 -0.159631D+02
      2   0.248370D+01 -0.905333D+01  0.861207D+01 -0.507171D+01  0.226467D+02
      3   0.701647D+01 -0.141177D+01  0.179864D+02  0.119006D+02 -0.668357D+01
      4   0.102857D+02  0.572669D-01  0.412269D+01  0.566079D+01 -0.623905D+01
      5  -0.152698D+02  0.482601D+01 -0.327704D+01  0.512938D+01  0.164779D+01
      6   0.404373D+01  0.511525D+01 -0.413859D+01 -0.355584D+00 -0.557023D+01
                51            52            53            54            55 
      1   0.221863D+01  0.358402D+02 -0.449130D+01  0.993694D+01 -0.363789D+02
      2  -0.981982D+01 -0.855292D+01 -0.101786D+01 -0.526631D+01  0.119768D+02
      3   0.760119D+01 -0.272872D+02  0.550916D+01 -0.467063D+01  0.244021D+02
      4   0.111043D+01 -0.413102D+01  0.193749D+00  0.778270D+01  0.176915D+01
      5   0.611858D+01  0.423111D+01  0.664749D+01 -0.657626D+01 -0.320141D+01
      6   0.402072D+01  0.116808D+02 -0.229508D+01  0.831329D+01  0.208718D+01
                56            57            58            59            60 
      1  -0.967404D+01 -0.401855D+01 -0.402265D+02 -0.297382D+02 -0.454983D+01
      2   0.729018D+01 -0.118666D+01  0.281894D+02  0.279275D+01  0.485251D+01
      3   0.238386D+01  0.520521D+01  0.120370D+02  0.269454D+02 -0.302682D+00
      4  -0.253154D+02 -0.217890D+00 -0.510492D+02  0.264212D+02 -0.128772D+02
      5  -0.634024D+00 -0.104871D+02 -0.431170D+01 -0.131430D+02 -0.185564D+00
      6   0.684590D+00  0.153832D+01 -0.542392D+00  0.410172D+01  0.460145D-02
                61            62            63            64            65 
      1  -0.302617D+02 -0.751609D+01 -0.773288D+01 -0.546843D+02  0.157013D+02
      2   0.467283D+01  0.734849D+01  0.124629D+02  0.344374D+02 -0.294843D+01
      3   0.255889D+02  0.167601D+00 -0.472998D+01  0.202469D+02 -0.127529D+02
      4  -0.500215D+01 -0.229430D+02  0.655369D+01  0.172665D+02  0.287655D+02
      5  -0.248642D+02  0.367542D+01  0.396770D+02 -0.414523D+00  0.350443D+01
      6   0.384940D+01 -0.176677D+01 -0.734100D+01  0.871517D+00 -0.209891D+01
                66            67            68            69            70 
      1  -0.155036D+01  0.521711D+02  0.507762D+02  0.683101D-01  0.219671D+02
      2  -0.203007D+01 -0.220957D+02 -0.280535D+02  0.210898D+01 -0.874605D+01
      3   0.358043D+01 -0.300753D+02 -0.227226D+02 -0.217729D+01 -0.132211D+02
      4   0.305906D+01  0.463154D+02 -0.143434D+02  0.170944D+02  0.675164D+01
      5   0.184625D+02  0.770180D+01  0.193454D+02  0.305593D+01  0.353202D+02
      6   0.329640D+01  0.277638D+01  0.482669D+01 -0.633943D+00  0.299922D+01
                71            72            73            74            75 
      1   0.190713D+01  0.354338D+02  0.540431D+02 -0.702525D+01 -0.807697D+01
      2   0.361764D+01 -0.895384D+01 -0.375157D+02 -0.831688D+01 -0.683610D-01
      3  -0.552477D+01 -0.264800D+02 -0.165274D+02  0.153421D+02  0.814533D+01
      4   0.225422D+02  0.584801D+01 -0.422713D+01 -0.320649D+02 -0.849116D+01
      5   0.504422D+01 -0.584369D+02 -0.784476D+01 -0.606111D+01 -0.131852D+02
      6   0.444243D+01 -0.693466D+01 -0.743280D+01 -0.269062D+01 -0.961737D+01
                76            77            78            79            80 
      1  -0.103696D+02 -0.331118D+02  0.347846D+01 -0.127560D+02  0.263145D+01
      2  -0.786099D+01  0.129008D+02 -0.125498D+02 -0.141717D+01 -0.158271D+02
      3   0.182306D+02  0.202111D+02  0.907131D+01  0.141732D+02  0.131956D+02
      4  -0.375211D+02 -0.138529D+02 -0.218869D+02 -0.915041D+01 -0.311507D+02
      5  -0.679580D+01 -0.214673D+02 -0.860539D+01 -0.211387D+02 -0.154701D+02
      6  -0.559736D+01 -0.176336D+02 -0.494856D+01 -0.114360D+02 -0.960963D+01
                81            82            83            84            85 
      1  -0.859711D+01  0.595282D+02 -0.196494D+02 -0.556126D+01 -0.319211D+02
      2   0.835897D+01 -0.320802D+02  0.945762D+01  0.121374D+01  0.151386D+02
      3   0.238141D+00 -0.274480D+02  0.101918D+02  0.434752D+01  0.167824D+02
      4  -0.205945D+02 -0.224813D+02 -0.402063D+02 -0.621601D+01 -0.631022D+02
      5   0.416105D+02 -0.902401D+01 -0.675589D+01 -0.337620D+02 -0.112003D+02
      6   0.210908D+02 -0.177623D+01 -0.498801D+01 -0.201762D+01 -0.959190D+01
                86            87            88            89            90 
      1  -0.556245D+02 -0.706066D+01 -0.169295D+02 -0.625225D+01 -0.453495D+02
      2   0.271600D+02  0.264906D+01  0.447679D+01  0.214625D+01  0.253501D+02
      3   0.284645D+02  0.441160D+01  0.124527D+02  0.410600D+01  0.199994D+02
      4   0.234949D+02 -0.430084D+02 -0.100533D+02 -0.413911D+02 -0.529175D+01
      5  -0.460432D+02 -0.463877D+01 -0.542595D+02 -0.422708D+01  0.511732D+02
      6   0.354798D+00 -0.522757D+01 -0.350823D+01 -0.553037D+01  0.141566D+01
                91            92            93            94            95 
      1   0.136789D+02 -0.450463D+01 -0.170057D+01 -0.119977D+02 -0.177352D+02
      2  -0.972395D+01 -0.211979D+01 -0.111088D+01  0.500671D+01  0.757796D+01
      3  -0.395497D+01  0.662441D+01  0.281145D+01  0.699099D+01  0.101573D+02
      4  -0.199286D+02 -0.176799D+02 -0.799037D+01 -0.408089D+02  0.150610D+02
      5  -0.718071D+01 -0.711421D+01 -0.976591D+01 -0.127208D+02 -0.329947D+01
      6  -0.452138D+01 -0.243986D+01 -0.440384D+01 -0.255864D+01 -0.559621D+01
                96            97            98            99           100 
      1  -0.609483D+01 -0.165289D+02 -0.800820D+01 -0.248400D+01 -0.439747D+01
      2  -0.575485D-01  0.159830D+00 -0.189654D+01  0.786378D+01  0.103509D+01
      3   0.615238D+01  0.163690D+02  0.990473D+01 -0.537978D+01  0.336238D+01
      4  -0.302081D+01 -0.184823D+02 -0.158172D+02 -0.166209D+02  0.112946D+02
      5  -0.139121D+02 -0.163255D+02 -0.153721D+02  0.316772D+02 -0.159706D+02
      6  -0.311479D+01 -0.821326D+01 -0.319629D+01  0.886346D+01  0.536699D+01
               101           102           103           104           105 
      1   0.488639D+01 -0.818715D+01  0.164655D+02  0.464035D+01  0.902063D+01
      2  -0.433739D+00  0.548100D+01 -0.122645D+02  0.789910D+00 -0.319200D+01
      3  -0.445265D+01  0.270615D+01 -0.420103D+01 -0.543026D+01 -0.582862D+01
      4   0.348468D+00  0.701640D+01 -0.865323D+00 -0.158970D+02 -0.272495D+01
      5   0.630822D+01 -0.319234D+01  0.782503D+01 -0.272181D+01  0.215358D+02
      6  -0.512166D+01  0.625007D+01 -0.150581D+01 -0.115232D+01 -0.142377D+02
               106           107           108           109           110 
      1  -0.225777D+02  0.969675D+01 -0.587964D+01  0.431264D+02 -0.129597D+02
      2   0.946430D+01  0.961259D+00  0.282470D+01 -0.210605D+02  0.436308D+01
      3   0.131134D+02 -0.106580D+02  0.305495D+01 -0.220659D+02  0.859661D+01
      4   0.180498D+02 -0.125983D+02  0.205760D+02 -0.242183D+02  0.195140D+02
      5  -0.182548D+02  0.182014D+02 -0.249078D+02  0.316259D+02 -0.651106D+01
      6   0.110314D+02 -0.162855D+02  0.668055D+01 -0.112218D+02  0.394824D+01
               111           112           113           114           115 
      1   0.247230D+02 -0.143976D+02  0.378905D+01 -0.186283D+01  0.379146D+02
      2  -0.144491D+02  0.211864D+01  0.750347D+01 -0.126482D+01 -0.195277D+02
      3  -0.102739D+02  0.122789D+02 -0.112925D+02  0.312765D+01 -0.183870D+02
      4  -0.104302D+02  0.251423D+02 -0.222265D+02  0.184802D+02 -0.226117D+02
      5   0.229363D+02 -0.121144D+02  0.177860D+02 -0.192490D+02  0.352329D+02
      6  -0.774760D+01  0.607229D+01 -0.115303D+02  0.176519D+02 -0.111720D+02
               116           117           118           119           120 
      1  -0.336119D+01  0.114640D+02 -0.380133D+00 -0.915452D+01 -0.128780D+02
      2  -0.283385D+01 -0.149461D+02 -0.317324D+01  0.118986D+02  0.804076D+01
      3   0.619504D+01  0.348202D+01  0.355337D+01 -0.274404D+01  0.483724D+01
      4   0.291803D+02 -0.187351D+02  0.143982D+01 -0.733436D+01  0.352554D+01
      5  -0.170363D+02  0.593831D+02 -0.863531D+01 -0.104339D+01  0.583337D+01
      6   0.156443D+02 -0.275896D+02  0.366351D+01  0.503188D+01  0.103660D+01
               121           122           123           124           125 
      1  -0.235713D+01 -0.747135D+01 -0.553312D+01 -0.114806D+02 -0.798640D+01
      2   0.112812D+02 -0.122541D+02  0.292849D+01  0.609761D+01  0.792018D+01
      3  -0.892406D+01  0.197255D+02  0.260463D+01  0.538304D+01  0.662213D-01
      4  -0.938731D+01  0.375234D+02 -0.445242D+01  0.126411D+02 -0.189471D+02
      5   0.162197D+01 -0.362091D+01 -0.413451D+01  0.159811D+02 -0.171866D+02
      6   0.272387D+01  0.263179D+01  0.103858D+02 -0.590431D+01  0.196486D+02
               126           127           128           129           130 
      1  -0.948093D+01 -0.813889D+00 -0.274359D+00  0.341082D+01 -0.305034D+01
      2  -0.610931D+01 -0.540855D+01 -0.118796D+01  0.536896D+01 -0.607445D+00
      3   0.155902D+02  0.622244D+01  0.146232D+01 -0.877978D+01  0.365778D+01
      4  -0.153083D+02  0.707071D+00  0.217082D+01 -0.875186D+00  0.109714D+01
      5  -0.328872D+02 -0.922278D+01 -0.263153D+01  0.116914D+02 -0.294949D+01
      6   0.222262D+02  0.889794D-01 -0.180324D+01 -0.545023D+00 -0.132177D+01
               131           132           133           134           135 
      1  -0.381691D+01  0.787574D+01  0.375169D+01  0.487128D+01 -0.245293D+02
      2  -0.574408D+00  0.313584D+01  0.660419D+01  0.188960D+01 -0.146130D+02
      3   0.439132D+01 -0.110116D+02 -0.103559D+02 -0.676089D+01  0.391423D+02
      4   0.102245D+01 -0.150207D+01 -0.227380D+01 -0.345563D+01  0.194088D+01
      5  -0.286108D+01  0.426940D+01  0.118617D+02  0.406682D+01 -0.189672D+02
      6  -0.309527D+01  0.232125D+01  0.102721D+01  0.557733D+01 -0.284025D+01
               136           137           138           139           140 
      1   0.420026D+01 -0.274608D+00 -0.144918D+01 -0.831653D-01 -0.194456D+01
      2  -0.612926D+01  0.951326D+00 -0.430156D+01  0.210489D+01 -0.349163D+00
      3   0.192900D+01 -0.676718D+00  0.575074D+01 -0.202173D+01  0.229372D+01
      4  -0.309362D+01  0.389978D+01 -0.120799D+01  0.249245D+01 -0.312187D+01
      5   0.118758D+02 -0.306200D+01  0.101046D+02 -0.475345D+01  0.342712D+01
      6  -0.514168D+00  0.185547D+01 -0.880377D+00  0.929337D+00 -0.293524D+01
               141           142           143           144           145 
      1   0.489584D+01 -0.393038D+01  0.430022D+01 -0.123822D+02 -0.273085D+01
      2   0.230344D+01 -0.540858D+01  0.104358D+01 -0.844524D+01 -0.292258D+01
      3  -0.719928D+01  0.933896D+01 -0.534380D+01  0.208275D+02  0.565343D+01
      4   0.157077D+01 -0.162050D+01  0.303126D+01 -0.270646D+01  0.537714D+01
      5  -0.567899D+01  0.125244D+02 -0.445086D+01  0.160043D+02 -0.945222D+01
      6   0.213953D+01 -0.182729D+01  0.477716D+01 -0.361350D+01 -0.587263D+01
               146           147           148           149           150 
      1  -0.186768D+01  0.557373D+01 -0.292119D+01 -0.515012D+01  0.937942D+01
      2   0.434382D+00  0.303350D+01 -0.438835D+00  0.924122D+00  0.411758D+00
      3   0.143330D+01 -0.860723D+01  0.336003D+01  0.422600D+01 -0.979118D+01
      4   0.383181D+01 -0.541451D+01  0.236223D+01  0.206064D+01 -0.302596D+01
      5  -0.356169D+01  0.121751D+02 -0.342461D+01 -0.290256D+01  0.446554D+01
      6  -0.363548D+01  0.617471D+01 -0.316167D+01 -0.563917D+01  0.920147D+01
               151           152           153           154           155 
      1   0.796787D+01  0.109574D+02 -0.302430D+02  0.240948D+01  0.249266D+01
      2   0.224951D+01 -0.280969D+01 -0.618289D+01 -0.323248D+01 -0.238104D+01
      3  -0.102174D+02 -0.814768D+01  0.364259D+02  0.822998D+00 -0.111618D+00
      4  -0.587975D+01 -0.524476D+01  0.809225D+01 -0.108938D+02  0.751371D+01
      5   0.113426D+02  0.544909D+01 -0.183263D+02  0.158234D+02 -0.602914D+01
      6   0.861675D+01  0.127927D+02 -0.236561D+02 -0.922733D+01  0.595157D+01
               156           157           158           159           160 
      1  -0.190547D+01  0.617708D+00 -0.385197D+01  0.567763D+01 -0.415445D+01
      2  -0.231546D+01  0.739913D+00  0.195884D+01 -0.758500D-01 -0.258233D+01
      3   0.422093D+01 -0.135762D+01  0.189313D+01 -0.560178D+01  0.673678D+01
      4  -0.841336D+01  0.541122D+01 -0.573741D+01  0.599737D+01 -0.889716D+01
      5   0.139487D+02 -0.696526D+01  0.525698D+01 -0.818074D+01  0.152549D+02
      6  -0.876830D+01  0.548545D+01 -0.636427D+01  0.867468D+01 -0.104466D+02
               161           162           163           164           165 
      1   0.821962D+01 -0.157996D+02  0.647840D+01  0.184724D+00 -0.791662D+01
      2  -0.356927D+01 -0.267451D+01 -0.750849D+01 -0.548948D+00  0.676552D+01
      3  -0.465035D+01  0.184741D+02  0.103008D+01  0.364224D+00  0.115110D+01
      4   0.739491D+01 -0.108350D+02 -0.191892D+01  0.682984D+01  0.403405D+01
      5  -0.778225D+01  0.204379D+02 -0.141944D+02  0.252626D+01  0.148949D+02
      6   0.116879D+02 -0.185527D+02  0.224922D+01 -0.137832D+01 -0.216008D+01
               166           167           168           169           170 
      1   0.782396D+01  0.167662D+01 -0.197061D+01 -0.141664D+02 -0.306405D+01
      2  -0.509072D+01 -0.671722D+00  0.134715D+01  0.133340D+02  0.379496D+00
      3  -0.273325D+01 -0.100490D+01  0.623458D+00  0.832318D+00  0.268456D+01
      4   0.752893D+01 -0.430433D+01 -0.485633D+01  0.562793D+01 -0.808574D+01
      5  -0.741014D+00 -0.516021D+01  0.114714D+01  0.223828D+02 -0.817082D+01
      6  -0.155044D+01  0.147702D+01  0.531717D+01 -0.520786D+01  0.657260D+01
               171           172           173           174           175 
      1  -0.576239D+01  0.209695D+02 -0.917112D+01  0.393571D+01 -0.138670D+02
      2  -0.140142D+02 -0.371878D+01 -0.468629D+00 -0.936127D+00 -0.323967D+01
      3   0.197766D+02 -0.172507D+02  0.963975D+01 -0.299958D+01  0.171066D+02
      4  -0.110912D+02 -0.219851D+02  0.242559D+02 -0.176477D+01  0.351251D+02
      5  -0.455610D+02  0.471495D+01 -0.506784D+00  0.501278D+01 -0.102200D+01
      6   0.124578D+02 -0.111006D+01 -0.236559D+00 -0.123952D+01  0.403202D+00
               176           177           178           179           180 
      1  -0.160558D+00  0.521335D+00  0.185046D+02  0.112912D+01  0.156963D+01
      2   0.221820D+02 -0.269579D+01 -0.535730D+01 -0.472699D+01 -0.191936D+00
      3  -0.220215D+02  0.217445D+01 -0.131473D+02  0.359787D+01 -0.137770D+01
      4  -0.531304D+02  0.637685D+01 -0.913032D+01  0.158907D+02 -0.908892D+01
      5   0.571013D+01 -0.558301D+01  0.894784D+01 -0.783843D+01  0.214560D+01
      6  -0.117275D+01  0.462789D+01 -0.341970D+01  0.558832D+01 -0.211165D+01
               181           182           183           184           185 
      1  -0.701740D+00 -0.252061D+01  0.119273D+02 -0.751530D+01 -0.113490D+02
      2  -0.362918D+01  0.234488D+00 -0.348779D+01  0.298102D+01  0.504945D+01
      3   0.433092D+01  0.228612D+01 -0.843951D+01  0.453428D+01  0.629951D+01
      4  -0.416582D+01 -0.370495D+01  0.187151D+00 -0.304998D+01  0.111517D+01
      5   0.808036D+01 -0.136772D+00 -0.188303D+01  0.108993D+01  0.490873D+01
      6   0.151263D+01  0.139761D+00 -0.140229D+01 -0.434442D+00  0.158258D+00
               186           187           188           189           190 
      1  -0.208958D+00  0.203503D+02 -0.411836D+00 -0.245612D+02 -0.565059D+02
      2   0.899148D+00 -0.869795D+01  0.120867D+01 -0.904875D+01  0.329321D+02
      3  -0.690189D+00 -0.116523D+02 -0.796833D+00  0.336099D+02  0.235738D+02
      4   0.443291D+01  0.153844D+01  0.584899D+01 -0.220511D+01 -0.173316D+02
      5  -0.547473D+00 -0.100262D+01 -0.803227D+00  0.527019D+02  0.361277D+01
      6   0.682884D+01 -0.299339D+00  0.347151D+01  0.672973D+01  0.281032D+01
               191           192           193           194           195 
      1   0.147806D+02  0.293624D+01  0.678280D+01 -0.104459D+02 -0.967919D+00
      2  -0.146283D+02 -0.128301D+01 -0.775465D+01  0.968537D+01  0.190875D+01
      3  -0.152324D+00 -0.165323D+01  0.971851D+00  0.760552D+00 -0.940829D+00
      4  -0.345783D+01  0.249334D+01  0.169454D+01 -0.602243D+00  0.235290D+01
      5   0.106712D+01 -0.149584D+01  0.407015D-01  0.287001D+01  0.870116D+00
      6   0.274355D+00 -0.345898D+01  0.721609D+00  0.157641D+01  0.213417D+01
               196           197           198           199           200 
      1   0.453291D+01 -0.271821D+01 -0.584330D+01  0.164483D+01  0.236761D+01
      2  -0.163346D+01  0.362202D+01  0.235381D+01 -0.142968D+01  0.119502D+01
      3  -0.289945D+01 -0.903817D+00  0.348949D+01 -0.215152D+00 -0.356262D+01
      4   0.152357D+01  0.417974D+01  0.196213D+01  0.619953D+01  0.956023D+01
      5   0.966776D+00  0.312771D+01 -0.317820D+01 -0.105432D+02 -0.336371D+01
      6  -0.234929D+01  0.369825D+01 -0.126812D+01 -0.409510D+01 -0.191618D+01
               201           202           203           204           205 
      1  -0.744422D+01 -0.241261D+00 -0.303531D+00  0.308178D+01 -0.109660D+02
      2   0.564920D+01  0.226079D+01  0.180219D+01 -0.300148D+01  0.787022D+01
      3   0.179503D+01 -0.201953D+01 -0.149866D+01 -0.802979D-01  0.309578D+01
      4  -0.544073D+01  0.688456D+01  0.745702D+01 -0.578166D+01 -0.871651D+01
      5   0.138393D+02 -0.676378D+00 -0.619258D+01  0.391467D+01  0.161090D+02
      6   0.532735D+01 -0.165865D+01 -0.370416D+01  0.819247D+01  0.751170D+01
               206           207           208           209           210 
      1   0.590838D+01 -0.708921D+01  0.140538D+02  0.105784D+02  0.597465D+01
      2  -0.542546D+01 -0.860328D+01  0.228260D+01  0.748410D+01 -0.268380D+00
      3  -0.482915D+00  0.156925D+02 -0.163364D+02 -0.180625D+02 -0.570627D+01
      4  -0.135907D+02  0.172521D+02  0.282261D+02  0.345917D+02  0.894147D+01
      5   0.149148D+02 -0.508942D+02  0.848814D+01  0.623533D+01  0.929361D+01
      6   0.130822D+02 -0.294841D+02  0.551733D+01  0.484142D+01  0.636763D+01
               211           212           213           214           215 
      1   0.966114D+01 -0.237749D+01 -0.104955D+01  0.969231D+01 -0.200936D+01
      2   0.876403D+01  0.323351D+02  0.835912D+01 -0.358848D+00  0.125821D+02
      3  -0.184252D+02 -0.299576D+02 -0.730958D+01 -0.933346D+01 -0.105727D+02
      4   0.349574D+02  0.588010D+02  0.163628D+02  0.162552D+02  0.276055D+02
      5   0.703682D+01  0.146753D+02  0.107549D+02  0.119006D+02  0.148409D+02
      6   0.591469D+01  0.130756D+02  0.102618D+02  0.795567D+01  0.129269D+02
               216           217           218           219           220 
      1   0.145843D+01  0.270232D+02  0.146818D+01 -0.205289D+02  0.402313D+01
      2   0.253364D+01 -0.160667D+02 -0.566930D+00  0.118564D+02 -0.174041D+01
      3  -0.399206D+01 -0.109565D+02 -0.901255D+00  0.867252D+01 -0.228272D+01
      4   0.168842D+02  0.231078D+01  0.862956D+01  0.381244D+00  0.154249D+02
      5   0.953868D+01 -0.218634D+02  0.796822D+00  0.244918D+02  0.175761D+00
      6   0.843239D+01 -0.415391D+00  0.173996D+00  0.363843D+00 -0.924112D+00
               221           222           223           224           225 
      1   0.109880D+02  0.786536D+00 -0.471034D+02  0.187367D+01  0.294279D+02
      2  -0.558724D+01 -0.728636D+00  0.281209D+02 -0.153260D+01 -0.242391D+02
      3  -0.540074D+01 -0.579000D-01  0.189824D+02 -0.341064D+00 -0.518880D+01
      4  -0.178235D+01 -0.544997D+01  0.238629D+00 -0.107005D+02  0.108647D+01
      5  -0.531103D+01  0.137389D+01  0.438738D+02  0.156756D+00 -0.725150D+02
      6  -0.615031D+00  0.429484D+01  0.160997D+01  0.432494D+01 -0.208012D+01
               226           227           228           229           230 
      1   0.258081D+02 -0.212255D+02  0.104669D+02 -0.426053D+02  0.304308D+02
      2  -0.122136D+02  0.995820D+01 -0.555536D+01  0.204672D+02 -0.944145D+01
      3  -0.135945D+02  0.112673D+02 -0.491151D+01  0.221381D+02 -0.209893D+02
      4  -0.221483D+02  0.249015D+02 -0.703163D+01  0.420609D+02 -0.666506D+02
      5   0.121256D+02 -0.774333D+01  0.116807D+02 -0.139819D+02  0.242023D+02
      6  -0.252905D+01  0.196867D+01 -0.996306D+00  0.437647D+01 -0.703258D+01
               231           232           233           234           235 
      1  -0.849883D+01  0.203599D+02 -0.744818D+01  0.138450D+02  0.616762D+02
      2   0.508378D+01 -0.112486D+02  0.458267D+01 -0.973871D+01 -0.299105D+02
      3   0.341504D+01 -0.911129D+01  0.286551D+01 -0.410633D+01 -0.317657D+02
      4   0.227820D+02 -0.113904D+02  0.241488D+02 -0.150223D+02  0.342224D+02
      5  -0.188508D+02  0.212980D+02 -0.162083D+02  0.134018D+02  0.252168D+02
      6   0.589866D+01 -0.236953D+01  0.616331D+01 -0.417064D+01  0.524786D+01
               236           237           238           239           240 
      1   0.285390D+02  0.203196D+02  0.561191D+02  0.308929D+02  0.135132D+02
      2  -0.127784D+02 -0.108942D+02 -0.249894D+02 -0.931593D+01 -0.674102D+01
      3  -0.157606D+02 -0.942533D+01 -0.311297D+02 -0.215770D+02 -0.677221D+01
      4   0.278042D+02  0.119412D+02  0.466138D+02  0.430734D+02  0.222777D+02
      5   0.123319D+02  0.202756D+02  0.217391D+02  0.229003D+02  0.208061D+02
      6   0.298889D+01  0.286538D+01  0.677020D+01  0.706994D+01  0.647100D+01
               241           242           243           244           245 
      1   0.366959D+02  0.116335D+02  0.215956D+02  0.753526D+00  0.315697D+01
      2  -0.198116D+02 -0.575070D+01 -0.141330D+02 -0.428046D+01 -0.142317D+01
      3  -0.168843D+02 -0.588281D+01 -0.746260D+01  0.352694D+01 -0.173381D+01
      4   0.187935D+02  0.235755D+02  0.167023D+02  0.588872D+01  0.579228D+01
      5   0.331659D+02  0.171957D+02  0.212042D+02 -0.128057D+02 -0.161436D+01
      6   0.576036D+01  0.656686D+01  0.589823D+01 -0.377096D+01 -0.544924D+00
               246           247           248           249           250 
      1  -0.722886D+01  0.393785D+01  0.492618D+00  0.181784D+01 -0.876859D+01
      2   0.556534D+01 -0.163081D+01 -0.245877D+00 -0.434223D+00  0.888529D+01
      3   0.166352D+01 -0.230704D+01 -0.246741D+00 -0.138362D+01 -0.116699D+00
      4  -0.277266D+01  0.980710D+01  0.471494D+01 -0.731339D+01 -0.433123D+01
      5   0.127629D+02 -0.234776D+01 -0.740932D+01  0.920988D+01  0.178798D+02
      6   0.218394D+01 -0.175591D+01 -0.388842D+01  0.705725D+01  0.330346D+01
               251           252           253           254           255 
      1   0.229319D+01 -0.550460D+01 -0.883778D+02 -0.137169D+02  0.918278D+01
      2   0.494574D+00 -0.134045D+02  0.441781D+02  0.174458D+02 -0.578279D+01
      3  -0.278776D+01  0.189091D+02  0.441997D+02 -0.372890D+01 -0.340000D+01
      4  -0.101514D+02  0.929720D+01 -0.204655D+02  0.253383D+02  0.895417D+01
      5   0.785255D+01 -0.428951D+02  0.112915D+02  0.524397D+01  0.104366D+02
      6   0.623162D+01 -0.119607D+02  0.882775D+01  0.424101D+01  0.427501D+01
               256           257           258           259           260 
      1   0.938429D+01  0.379919D+02 -0.244674D+00  0.269641D+02  0.795960D+00
      2   0.380737D+01 -0.382427D+02  0.856265D+00 -0.970763D+01  0.501824D+01
      3  -0.131917D+02  0.250865D+00 -0.611591D+00 -0.172565D+02 -0.581420D+01
      4   0.349707D+02 -0.153465D+02  0.123564D+02  0.207482D+02  0.206272D+02
      5   0.105131D+02  0.154641D+02  0.130683D+02  0.160081D+02  0.118798D+02
      6   0.716380D+01  0.498178D+01  0.706504D+01  0.812329D+01  0.753302D+01
               261           262           263           264           265 
      1   0.138229D+02  0.450666D+01 -0.671658D+01 -0.134887D+01 -0.442784D+01
      2   0.617878D+01  0.306581D+01 -0.301060D+01 -0.292508D+00 -0.751874D+01
      3  -0.200017D+02 -0.757247D+01  0.972717D+01  0.164138D+01  0.119466D+02
      4   0.156693D+02 -0.133417D+02  0.196700D+02  0.385504D+01  0.244296D+02
      5  -0.280313D+02 -0.457891D+01  0.517046D+01  0.352242D+01  0.601195D+01
      6  -0.900562D+01  0.321547D+01 -0.393836D+01 -0.150806D+01 -0.512563D+01
               266           267           268           269           270 
      1  -0.102043D+02 -0.286549D+01  0.859905D+00 -0.225461D+00 -0.128465D+01
      2   0.363899D+02  0.459591D+01  0.227620D+01 -0.685463D+01  0.168817D+01
      3  -0.261857D+02 -0.173042D+01 -0.313610D+01  0.708010D+01 -0.403524D+00
      4  -0.604353D+02 -0.110587D+02 -0.440698D+01  0.102611D+02 -0.337663D+01
      5  -0.131697D+02 -0.101473D+02  0.192870D+01 -0.306840D+01 -0.215797D+01
      6   0.158471D+02  0.776301D+01 -0.108372D+01  0.349207D+01  0.150025D+01
               271           272           273           274           275 
      1   0.132302D+03  0.144727D+02 -0.455366D+01 -0.176078D+01  0.781385D+01
      2  -0.616523D+02 -0.285705D+01  0.183527D+01  0.440127D+01 -0.200082D+00
      3  -0.706500D+02 -0.116156D+02  0.271839D+01 -0.264048D+01 -0.761377D+01
      4   0.507287D+02  0.207325D+02 -0.183618D+00  0.145749D+02  0.723314D+01
      5   0.376472D+01  0.131304D+01  0.130049D+02 -0.650781D+00 -0.190726D+01
      6  -0.110239D+01  0.130236D+01  0.413606D+01  0.188565D+00 -0.240878D+00
               276           277           278           279           280 
      1   0.300618D+00 -0.167105D+02 -0.171537D+01  0.101453D+02 -0.103501D+00
      2  -0.448474D+00  0.690258D+01 -0.709016D+00 -0.713856D+01  0.402685D+01
      3   0.147856D+00  0.980790D+01  0.242439D+01 -0.300676D+01 -0.392335D+01
      4  -0.212904D+01 -0.815253D+01 -0.576685D+01  0.289509D+01  0.439890D+01
      5  -0.120960D+01  0.144125D+02  0.745527D+00 -0.376943D+00 -0.269196D+01
      6   0.135214D+00  0.411256D+01  0.874102D+00 -0.215236D+00 -0.100254D+01
               281           282           283           284           285 
      1   0.156683D+02 -0.159605D+01  0.113545D+02 -0.348048D+02  0.900113D-01
      2  -0.163359D+02  0.118742D+01 -0.555303D+01  0.560480D+02 -0.115661D+01
      3   0.667555D+00  0.408627D+00 -0.580144D+01 -0.212432D+02  0.106660D+01
      4  -0.778388D+01 -0.192233D+01  0.839780D+01  0.531486D+02 -0.725838D+00
      5   0.134522D+00 -0.279194D+01  0.139335D+01 -0.349012D+01  0.589171D+01
      6  -0.141396D+01 -0.255884D+01 -0.147026D+00  0.410638D+01  0.659360D+01
               286           287           288           289           290 
      1  -0.562436D+01  0.240732D+01 -0.636317D+01  0.699825D+01  0.135002D+01
      2   0.215379D+01 -0.604919D+01  0.507772D+01 -0.657605D+01 -0.228451D+01
      3   0.347057D+01  0.364186D+01  0.128545D+01 -0.422204D+00  0.934494D+00
      4  -0.415697D+01 -0.903677D+01  0.401963D+01  0.448042D+00 -0.303505D+01
      5  -0.155912D+00  0.543904D+01  0.444507D+00  0.442801D+01 -0.977550D+00
      6  -0.762739D+00  0.694413D+01 -0.476059D+00  0.611042D+00 -0.131453D+01
               291           292           293           294           295 
      1   0.620808D+01 -0.505634D+01 -0.649749D+01 -0.568241D+00  0.109045D+02
      2  -0.254151D+01  0.165544D+01  0.355943D+01  0.292256D+01 -0.666896D+01
      3  -0.366657D+01  0.340090D+01  0.293806D+01 -0.235432D+01 -0.423559D+01
      4   0.590404D+00 -0.367656D+01 -0.321295D+01  0.274142D+01  0.611930D+01
      5   0.101749D+01 -0.206927D+01  0.248458D+01 -0.498785D+01  0.103162D+02
      6  -0.972351D+00 -0.769851D+00  0.147460D+00  0.166182D+01  0.212622D+01
               296           297 
      1  -0.120808D+01 -0.121182D+02
      2   0.335722D+01 -0.136614D+02
      3  -0.214914D+01  0.257795D+02
      4   0.939694D+01  0.476026D+00
      5   0.166052D+01  0.459187D+02
      6   0.479238D+01  0.183524D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 16:02:50 2021, MaxMem=  6442450944 cpu:          167254.4 elap:           20909.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.52620 -19.47324 -10.58112 -10.46355 -10.45591
 Alpha  occ. eigenvalues --  -10.44940 -10.44508 -10.44262 -10.44236 -10.44158
 Alpha  occ. eigenvalues --  -10.44067 -10.43509 -10.43347 -10.42417 -10.42000
 Alpha  occ. eigenvalues --   -1.25933  -1.15939  -1.01715  -0.96882  -0.94192
 Alpha  occ. eigenvalues --   -0.88900  -0.88464  -0.82132  -0.81937  -0.80474
 Alpha  occ. eigenvalues --   -0.74527  -0.73079  -0.69941  -0.68667  -0.63885
 Alpha  occ. eigenvalues --   -0.62854  -0.61577  -0.59663  -0.58085  -0.56930
 Alpha  occ. eigenvalues --   -0.56137  -0.55620  -0.54594  -0.53570  -0.53181
 Alpha  occ. eigenvalues --   -0.51908  -0.50205  -0.49386  -0.49089  -0.47943
 Alpha  occ. eigenvalues --   -0.47537  -0.46902  -0.44974  -0.44605  -0.44088
 Alpha  occ. eigenvalues --   -0.43369  -0.42584  -0.42307  -0.39794  -0.35462
 Alpha  occ. eigenvalues --   -0.33569
 Alpha virt. eigenvalues --   -0.01370  -0.00810  -0.00522  -0.00356   0.00455
 Alpha virt. eigenvalues --    0.00591   0.00939   0.01546   0.02136   0.02246
 Alpha virt. eigenvalues --    0.02689   0.02787   0.03078   0.03964   0.04647
 Alpha virt. eigenvalues --    0.04810   0.05201   0.05646   0.05713   0.06180
 Alpha virt. eigenvalues --    0.06433   0.07717   0.08003   0.08385   0.08654
 Alpha virt. eigenvalues --    0.08953   0.09550   0.09679   0.10068   0.10466
 Alpha virt. eigenvalues --    0.11003   0.11319   0.11445   0.11588   0.11768
 Alpha virt. eigenvalues --    0.12474   0.12705   0.13046   0.13125   0.13281
 Alpha virt. eigenvalues --    0.13677   0.14039   0.14211   0.14781   0.14947
 Alpha virt. eigenvalues --    0.15198   0.15800   0.16374   0.16521   0.16727
 Alpha virt. eigenvalues --    0.17269   0.17613   0.18088   0.18361   0.18782
 Alpha virt. eigenvalues --    0.19194   0.19525   0.20003   0.20735   0.21153
 Alpha virt. eigenvalues --    0.21850   0.22327   0.22432   0.23207   0.23456
 Alpha virt. eigenvalues --    0.23949   0.24259   0.24677   0.25032   0.25942
 Alpha virt. eigenvalues --    0.26366   0.26732   0.26993   0.27388   0.27580
 Alpha virt. eigenvalues --    0.28177   0.28332   0.28484   0.28939   0.29390
 Alpha virt. eigenvalues --    0.29663   0.29937   0.30408   0.30556   0.31143
 Alpha virt. eigenvalues --    0.31187   0.31796   0.32107   0.32422   0.33146
 Alpha virt. eigenvalues --    0.33508   0.33706   0.33966   0.34740   0.34924
 Alpha virt. eigenvalues --    0.35771   0.35953   0.36479   0.36853   0.37683
 Alpha virt. eigenvalues --    0.38110   0.38676   0.39491   0.39572   0.39839
 Alpha virt. eigenvalues --    0.40388   0.40784   0.41088   0.41764   0.41821
 Alpha virt. eigenvalues --    0.42139   0.42434   0.42637   0.42665   0.43503
 Alpha virt. eigenvalues --    0.43658   0.44091   0.44906   0.44916   0.45296
 Alpha virt. eigenvalues --    0.45815   0.46198   0.46381   0.47084   0.48097
 Alpha virt. eigenvalues --    0.48314   0.48801   0.49450   0.49555   0.49870
 Alpha virt. eigenvalues --    0.50099   0.50664   0.51346   0.51543   0.52029
 Alpha virt. eigenvalues --    0.52811   0.53230   0.53592   0.54023   0.54319
 Alpha virt. eigenvalues --    0.54898   0.55284   0.55614   0.56329   0.56534
 Alpha virt. eigenvalues --    0.57345   0.57546   0.57890   0.58141   0.58448
 Alpha virt. eigenvalues --    0.58869   0.59244   0.59867   0.60312   0.60647
 Alpha virt. eigenvalues --    0.60722   0.61238   0.61751   0.62081   0.62198
 Alpha virt. eigenvalues --    0.63028   0.63534   0.63773   0.64059   0.64679
 Alpha virt. eigenvalues --    0.65245   0.65685   0.65883   0.66280   0.67188
 Alpha virt. eigenvalues --    0.67458   0.67965   0.68024   0.68539   0.68816
 Alpha virt. eigenvalues --    0.69455   0.69518   0.69994   0.70259   0.71020
 Alpha virt. eigenvalues --    0.71250   0.72134   0.72321   0.72791   0.73099
 Alpha virt. eigenvalues --    0.73763   0.74286   0.74379   0.75498   0.75668
 Alpha virt. eigenvalues --    0.75745   0.76071   0.76946   0.77644   0.77974
 Alpha virt. eigenvalues --    0.78251   0.79066   0.79403   0.80163   0.80224
 Alpha virt. eigenvalues --    0.81375   0.81963   0.82118   0.82523   0.83278
 Alpha virt. eigenvalues --    0.83998   0.84449   0.85320   0.85395   0.85842
 Alpha virt. eigenvalues --    0.86599   0.87510   0.87626   0.88188   0.88747
 Alpha virt. eigenvalues --    0.89295   0.89479   0.90442   0.90970   0.91676
 Alpha virt. eigenvalues --    0.92288   0.92686   0.92949   0.94007   0.94677
 Alpha virt. eigenvalues --    0.95360   0.96007   0.96678   0.97577   0.98007
 Alpha virt. eigenvalues --    1.00008   1.00654   1.01168   1.01708   1.02558
 Alpha virt. eigenvalues --    1.04105   1.04900   1.05714   1.06480   1.06913
 Alpha virt. eigenvalues --    1.07673   1.08395   1.09025   1.09813   1.11584
 Alpha virt. eigenvalues --    1.12528   1.13217   1.13791   1.14973   1.15231
 Alpha virt. eigenvalues --    1.16625   1.17106   1.18552   1.19308   1.20494
 Alpha virt. eigenvalues --    1.20989   1.22358   1.22932   1.23478   1.24441
 Alpha virt. eigenvalues --    1.25064   1.25661   1.26352   1.27952   1.28219
 Alpha virt. eigenvalues --    1.30204   1.32072   1.32801   1.34100   1.36563
 Alpha virt. eigenvalues --    1.37809   1.38809   1.39835   1.41398   1.42400
 Alpha virt. eigenvalues --    1.42810   1.43218   1.44709   1.45719   1.46388
 Alpha virt. eigenvalues --    1.47073   1.49339   1.50191   1.51387   1.52633
 Alpha virt. eigenvalues --    1.52715   1.53355   1.54457   1.55130   1.55729
 Alpha virt. eigenvalues --    1.56269   1.56901   1.58326   1.59171   1.60718
 Alpha virt. eigenvalues --    1.62134   1.62679   1.62860   1.63970   1.64486
 Alpha virt. eigenvalues --    1.65478   1.65904   1.67045   1.68172   1.69518
 Alpha virt. eigenvalues --    1.70481   1.71318   1.71551   1.72577   1.73485
 Alpha virt. eigenvalues --    1.74030   1.75204   1.76275   1.76713   1.77562
 Alpha virt. eigenvalues --    1.78893   1.79615   1.80373   1.80821   1.81394
 Alpha virt. eigenvalues --    1.82238   1.82882   1.83612   1.83772   1.84748
 Alpha virt. eigenvalues --    1.86767   1.88005   1.88717   1.89466   1.89672
 Alpha virt. eigenvalues --    1.90877   1.91884   1.92190   1.94038   1.94750
 Alpha virt. eigenvalues --    1.95352   1.96345   1.97056   1.97842   1.98065
 Alpha virt. eigenvalues --    1.98668   1.99351   1.99973   2.00566   2.01221
 Alpha virt. eigenvalues --    2.02618   2.03916   2.04044   2.04882   2.05930
 Alpha virt. eigenvalues --    2.06448   2.07093   2.08073   2.09374   2.10292
 Alpha virt. eigenvalues --    2.10826   2.11398   2.12606   2.13559   2.14510
 Alpha virt. eigenvalues --    2.16196   2.16681   2.17667   2.17796   2.20028
 Alpha virt. eigenvalues --    2.20065   2.20362   2.21561   2.22243   2.22830
 Alpha virt. eigenvalues --    2.23644   2.24832   2.25411   2.27044   2.28117
 Alpha virt. eigenvalues --    2.28740   2.30562   2.31416   2.32147   2.32554
 Alpha virt. eigenvalues --    2.33855   2.35670   2.36416   2.37423   2.37587
 Alpha virt. eigenvalues --    2.38761   2.39820   2.40968   2.41986   2.44397
 Alpha virt. eigenvalues --    2.45455   2.45568   2.47891   2.49506   2.51946
 Alpha virt. eigenvalues --    2.53181   2.54374   2.54670   2.54938   2.56405
 Alpha virt. eigenvalues --    2.59207   2.59737   2.61599   2.62911   2.63499
 Alpha virt. eigenvalues --    2.65470   2.65775   2.66450   2.67135   2.70388
 Alpha virt. eigenvalues --    2.72496   2.74993   2.75651   2.77107   2.78157
 Alpha virt. eigenvalues --    2.80207   2.82438   2.84907   2.87398   2.88148
 Alpha virt. eigenvalues --    2.90012   2.91696   2.93683   2.95455   2.96522
 Alpha virt. eigenvalues --    3.00847   3.08857   3.11173   3.13273   3.14214
 Alpha virt. eigenvalues --    3.17104   3.23764   3.31010   3.37471   3.43306
 Alpha virt. eigenvalues --    3.45113   3.47103   3.50290   3.51932   3.54675
 Alpha virt. eigenvalues --    3.56067   3.59914   3.62140   3.68453   3.72921
 Alpha virt. eigenvalues --    3.77949   3.87642   3.93126   4.06394   4.78518
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   51.020046 -16.842348 -15.768438   4.814143  -6.763444  -5.938938
     2  C  -16.842348  34.249793   5.537894  -9.161388  -3.073847  -5.335972
     3  C  -15.768438   5.537894  50.391732 -15.219852  -6.408429  -6.429795
     4  C    4.814143  -9.161388 -15.219852  36.414589  -5.770298  -3.001290
     5  C   -6.763444  -3.073847  -6.408429  -5.770298  35.571715  -5.998162
     6  C   -5.938938  -5.335972  -6.429795  -3.001290  -5.998162  34.573957
     7  C   -2.739188  -2.782115  -0.350571  -1.115948  -0.634831   0.385920
     8  C   -0.758000   0.437155   0.072111  -0.187396  -0.032845  -0.185777
     9  C    0.983851  -0.299149  -0.130824   0.061671  -0.321176  -0.363145
    10  C   -0.389760  -0.046416  -0.003193  -0.010932   0.186713   0.138096
    11  C    0.433569  -0.347833  -1.253967  -5.701508   0.464599  -0.295750
    12  C   -0.001553   0.014281  -1.271768   1.250296  -0.398207  -0.227493
    13  O   -0.052153   0.002165   0.240397  -0.178613  -0.015912  -0.001468
    14  O   -0.040756   0.022121   0.136265  -0.118990  -0.001401   0.011886
    15  H   -5.487844   3.659748   1.323033  -1.343182   0.067308   0.721095
    16  H    1.645519  -1.028099  -5.343192   2.523952   0.601442  -0.033191
    17  H   -0.322231   0.140629   0.237574   0.939170  -3.088809   1.201943
    18  H    0.061935   0.663480  -0.252171   0.253318   1.511655  -2.805162
    19  H    1.325692  -0.329255   0.335546   0.227283  -0.358816  -0.729974
    20  H   -0.297194   0.069768  -0.088827   0.049845   0.357898   0.471015
    21  H   -0.011614  -0.069794   0.095209   0.083020   0.141578   0.122201
    22  H    0.086428  -0.020427  -0.106112   0.064774  -0.003418   0.001841
    23  H    0.146857   0.028882   0.054701   0.035820  -0.001738  -0.019417
    24  H   -0.083995   0.038180   0.007294  -0.017588   0.019446   0.020180
    25  H   -0.046754   0.077412   0.022173  -0.002746   0.018508   0.051305
    26  H    0.025903   0.228523  -0.012064   0.019171   0.005469  -0.019883
    27  H    0.001441  -0.147280  -0.004918  -0.008727  -0.007279  -0.032696
    28  H   -0.060523  -0.019232  -0.114983   0.875703  -0.068595  -0.013714
    29  C   -0.012132  -0.227050  -0.673611  -0.411982   0.202656  -0.128453
    30  H    0.002786  -0.003347  -0.037529   0.048260  -0.007801  -0.002826
    31  H   -0.007082   0.059998   0.201689   0.901351  -0.272782  -0.047547
    32  H   -0.032317  -0.030913   0.159768  -0.810451   0.186431   0.018359
    33  H    0.004986  -0.135139  -0.539456   0.150024   0.159763   0.061703
               7          8          9         10         11         12
     1  C   -2.739188  -0.758000   0.983851  -0.389760   0.433569  -0.001553
     2  C   -2.782115   0.437155  -0.299149  -0.046416  -0.347833   0.014281
     3  C   -0.350571   0.072111  -0.130824  -0.003193  -1.253967  -1.271768
     4  C   -1.115948  -0.187396   0.061671  -0.010932  -5.701508   1.250296
     5  C   -0.634831  -0.032845  -0.321176   0.186713   0.464599  -0.398207
     6  C    0.385920  -0.185777  -0.363145   0.138096  -0.295750  -0.227493
     7  C   16.080573  -0.680753   0.088362   0.210892  -0.447385  -0.016943
     8  C   -0.680753  10.634111  -0.862276  -0.434109   0.002086   0.005400
     9  C    0.088362  -0.862276   5.262058  -0.229421  -0.003234  -0.005767
    10  C    0.210892  -0.434109  -0.229421   5.409385  -0.005024   0.001051
    11  C   -0.447385   0.002086  -0.003234  -0.005024  16.999527  -3.035640
    12  C   -0.016943   0.005400  -0.005767   0.001051  -3.035640   8.486383
    13  O   -0.002407   0.000201  -0.000000   0.000002   0.000715   0.526091
    14  O    0.000178   0.000527   0.000635   0.000059   0.067487   0.093218
    15  H   -0.065631   0.074149  -0.068093   0.020171  -0.048864   0.021513
    16  H    0.147592  -0.002987   0.006891   0.000826   0.186488   0.097308
    17  H    0.136850  -0.013534  -0.000123   0.000133   0.047111  -0.023567
    18  H   -0.422904   0.063646  -0.028876   0.025825   0.124210   0.000046
    19  H   -1.350811  -0.061947   0.052157  -0.111705  -0.000545  -0.004058
    20  H   -1.253108   0.149706   0.043963  -0.048721  -0.011866   0.001471
    21  H   -0.219499  -2.158587   0.293477  -0.098171   0.004957   0.002469
    22  H   -0.193037   0.344827   0.195017  -0.130321  -0.014159  -0.001622
    23  H   -0.425367  -0.062636   0.195397  -0.082800   0.000490   0.000513
    24  H    0.134866  -0.047861   0.030570   0.114336   0.003634   0.000087
    25  H   -0.023713  -0.402257  -0.050880   0.425514   0.000187   0.000135
    26  H   -0.293170   0.336714  -0.042412   0.046684   0.002025   0.000064
    27  H    0.141741   0.302610   0.054630   0.030460  -0.001699   0.000026
    28  H   -0.008310   0.003633  -0.000762  -0.000187  -1.824181   0.234793
    29  C   -0.099953  -0.005391  -0.002114   0.000032   0.169393   0.299376
    30  H   -0.000023   0.000057  -0.000274  -0.000022   0.035363  -0.095450
    31  H    0.002785  -0.000382  -0.000071  -0.000035  -0.489351   0.011284
    32  H   -0.020873   0.000359  -0.000124   0.000056   0.718545  -0.128397
    33  H   -0.015135  -0.001098   0.000162  -0.000051  -0.348860   0.113423
              13         14         15         16         17         18
     1  C   -0.052153  -0.040756  -5.487844   1.645519  -0.322231   0.061935
     2  C    0.002165   0.022121   3.659748  -1.028099   0.140629   0.663480
     3  C    0.240397   0.136265   1.323033  -5.343192   0.237574  -0.252171
     4  C   -0.178613  -0.118990  -1.343182   2.523952   0.939170   0.253318
     5  C   -0.015912  -0.001401   0.067308   0.601442  -3.088809   1.511655
     6  C   -0.001468   0.011886   0.721095  -0.033191   1.201943  -2.805162
     7  C   -0.002407   0.000178  -0.065631   0.147592   0.136850  -0.422904
     8  C    0.000201   0.000527   0.074149  -0.002987  -0.013534   0.063646
     9  C   -0.000000   0.000635  -0.068093   0.006891  -0.000123  -0.028876
    10  C    0.000002   0.000059   0.020171   0.000826   0.000133   0.025825
    11  C    0.000715   0.067487  -0.048864   0.186488   0.047111   0.124210
    12  C    0.526091   0.093218   0.021513   0.097308  -0.023567   0.000046
    13  O    7.741536  -0.014899  -0.001356  -0.053070   0.002789  -0.000186
    14  O   -0.014899   7.942703  -0.001884  -0.007366   0.012424   0.000029
    15  H   -0.001356  -0.001884   3.505503  -0.300127   0.005311  -0.028432
    16  H   -0.053070  -0.007366  -0.300127   3.705567  -0.029052   0.003058
    17  H    0.002789   0.012424   0.005311  -0.029052   2.905171  -0.253871
    18  H   -0.000186   0.000029  -0.028432   0.003058  -0.253871   2.983701
    19  H   -0.000033   0.000031  -0.121188  -0.001452  -0.006715   0.030646
    20  H   -0.000068  -0.000051   0.036705  -0.002723   0.013437  -0.062973
    21  H   -0.000011  -0.000161   0.005959  -0.000126   0.003401  -0.065812
    22  H   -0.000273  -0.001097  -0.015213   0.000480  -0.001844   0.006762
    23  H    0.000040   0.000015  -0.008171  -0.001440   0.000869  -0.008744
    24  H   -0.000038   0.000200   0.002335   0.000464  -0.000654   0.002136
    25  H    0.000004   0.000009   0.011470  -0.000167  -0.000033   0.002591
    26  H   -0.000001   0.000012   0.000244  -0.000147  -0.000523   0.013978
    27  H    0.000000  -0.000012  -0.003050   0.000108   0.000198  -0.004773
    28  H    0.008415  -0.054966  -0.000214  -0.017486  -0.151621   0.001193
    29  C   -0.012720  -0.028135   0.015426  -0.034057   0.018504   0.005362
    30  H   -0.034481   0.291750   0.000252  -0.000020  -0.000406  -0.000043
    31  H   -0.005869   0.004354  -0.001808   0.015792   0.001998   0.000224
    32  H    0.021754   0.007477  -0.002742   0.012533  -0.006643   0.001673
    33  H    0.006687  -0.015925   0.004321  -0.090452   0.007416  -0.000750
              19         20         21         22         23         24
     1  C    1.325692  -0.297194  -0.011614   0.086428   0.146857  -0.083995
     2  C   -0.329255   0.069768  -0.069794  -0.020427   0.028882   0.038180
     3  C    0.335546  -0.088827   0.095209  -0.106112   0.054701   0.007294
     4  C    0.227283   0.049845   0.083020   0.064774   0.035820  -0.017588
     5  C   -0.358816   0.357898   0.141578  -0.003418  -0.001738   0.019446
     6  C   -0.729974   0.471015   0.122201   0.001841  -0.019417   0.020180
     7  C   -1.350811  -1.253108  -0.219499  -0.193037  -0.425367   0.134866
     8  C   -0.061947   0.149706  -2.158587   0.344827  -0.062636  -0.047861
     9  C    0.052157   0.043963   0.293477   0.195017   0.195397   0.030570
    10  C   -0.111705  -0.048721  -0.098171  -0.130321  -0.082800   0.114336
    11  C   -0.000545  -0.011866   0.004957  -0.014159   0.000490   0.003634
    12  C   -0.004058   0.001471   0.002469  -0.001622   0.000513   0.000087
    13  O   -0.000033  -0.000068  -0.000011  -0.000273   0.000040  -0.000038
    14  O    0.000031  -0.000051  -0.000161  -0.001097   0.000015   0.000200
    15  H   -0.121188   0.036705   0.005959  -0.015213  -0.008171   0.002335
    16  H   -0.001452  -0.002723  -0.000126   0.000480  -0.001440   0.000464
    17  H   -0.006715   0.013437   0.003401  -0.001844   0.000869  -0.000654
    18  H    0.030646  -0.062973  -0.065812   0.006762  -0.008744   0.002136
    19  H    3.213289  -0.661312   0.135547  -0.018972   0.018267   0.011947
    20  H   -0.661312   2.740802   0.017209   0.039581   0.014962  -0.013958
    21  H    0.135547   0.017209   3.460504  -0.088025   0.175087  -0.068786
    22  H   -0.018972   0.039581  -0.088025   2.107476  -0.330235  -0.648378
    23  H    0.018267   0.014962   0.175087  -0.330235   1.951628  -0.475332
    24  H    0.011947  -0.013958  -0.068786  -0.648378  -0.475332   2.220548
    25  H   -0.058505   0.011493   0.145947   0.007920  -0.003453  -0.008050
    26  H    0.029721  -0.089353  -0.101272  -0.024014  -0.001072   0.036625
    27  H    0.012118   0.029383  -0.126051   0.026740  -0.021199  -0.057629
    28  H    0.000321  -0.001059  -0.000598   0.000028  -0.000263   0.000224
    29  C   -0.004321  -0.003087   0.001797   0.000814   0.000741  -0.000278
    30  H   -0.000031   0.000032   0.000121  -0.000269   0.000034  -0.000055
    31  H    0.000226   0.000286   0.000121   0.000239   0.000053  -0.000008
    32  H   -0.000408  -0.000873   0.000330  -0.000704   0.000099   0.000005
    33  H   -0.001089  -0.000274   0.000016   0.000548   0.000109  -0.000038
              25         26         27         28         29         30
     1  C   -0.046754   0.025903   0.001441  -0.060523  -0.012132   0.002786
     2  C    0.077412   0.228523  -0.147280  -0.019232  -0.227050  -0.003347
     3  C    0.022173  -0.012064  -0.004918  -0.114983  -0.673611  -0.037529
     4  C   -0.002746   0.019171  -0.008727   0.875703  -0.411982   0.048260
     5  C    0.018508   0.005469  -0.007279  -0.068595   0.202656  -0.007801
     6  C    0.051305  -0.019883  -0.032696  -0.013714  -0.128453  -0.002826
     7  C   -0.023713  -0.293170   0.141741  -0.008310  -0.099953  -0.000023
     8  C   -0.402257   0.336714   0.302610   0.003633  -0.005391   0.000057
     9  C   -0.050880  -0.042412   0.054630  -0.000762  -0.002114  -0.000274
    10  C    0.425514   0.046684   0.030460  -0.000187   0.000032  -0.000022
    11  C    0.000187   0.002025  -0.001699  -1.824181   0.169393   0.035363
    12  C    0.000135   0.000064   0.000026   0.234793   0.299376  -0.095450
    13  O    0.000004  -0.000001   0.000000   0.008415  -0.012720  -0.034481
    14  O    0.000009   0.000012  -0.000012  -0.054966  -0.028135   0.291750
    15  H    0.011470   0.000244  -0.003050  -0.000214   0.015426   0.000252
    16  H   -0.000167  -0.000147   0.000108  -0.017486  -0.034057  -0.000020
    17  H   -0.000033  -0.000523   0.000198  -0.151621   0.018504  -0.000406
    18  H    0.002591   0.013978  -0.004773   0.001193   0.005362  -0.000043
    19  H   -0.058505   0.029721   0.012118   0.000321  -0.004321  -0.000031
    20  H    0.011493  -0.089353   0.029383  -0.001059  -0.003087   0.000032
    21  H    0.145947  -0.101272  -0.126051  -0.000598   0.001797   0.000121
    22  H    0.007920  -0.024014   0.026740   0.000028   0.000814  -0.000269
    23  H   -0.003453  -0.001072  -0.021199  -0.000263   0.000741   0.000034
    24  H   -0.008050   0.036625  -0.057629   0.000224  -0.000278  -0.000055
    25  H    1.733694  -0.319858  -0.429190   0.000021   0.000148  -0.000005
    26  H   -0.319858   1.810179  -0.480700   0.000040   0.000186   0.000001
    27  H   -0.429190  -0.480700   1.879028  -0.000051  -0.000133   0.000000
    28  H    0.000021   0.000040  -0.000051   2.584955   0.073744   0.011551
    29  C    0.000148   0.000186  -0.000133   0.073744   5.407779   0.015435
    30  H   -0.000005   0.000001   0.000000   0.011551   0.015435   0.580624
    31  H    0.000004   0.000000  -0.000007   0.007556  -0.279845   0.000542
    32  H    0.000023   0.000067  -0.000026  -0.020552   0.073370  -0.000800
    33  H    0.000004   0.000026  -0.000012   0.079738   0.684516   0.004032
              31         32         33
     1  C   -0.007082  -0.032317   0.004986
     2  C    0.059998  -0.030913  -0.135139
     3  C    0.201689   0.159768  -0.539456
     4  C    0.901351  -0.810451   0.150024
     5  C   -0.272782   0.186431   0.159763
     6  C   -0.047547   0.018359   0.061703
     7  C    0.002785  -0.020873  -0.015135
     8  C   -0.000382   0.000359  -0.001098
     9  C   -0.000071  -0.000124   0.000162
    10  C   -0.000035   0.000056  -0.000051
    11  C   -0.489351   0.718545  -0.348860
    12  C    0.011284  -0.128397   0.113423
    13  O   -0.005869   0.021754   0.006687
    14  O    0.004354   0.007477  -0.015925
    15  H   -0.001808  -0.002742   0.004321
    16  H    0.015792   0.012533  -0.090452
    17  H    0.001998  -0.006643   0.007416
    18  H    0.000224   0.001673  -0.000750
    19  H    0.000226  -0.000408  -0.001089
    20  H    0.000286  -0.000873  -0.000274
    21  H    0.000121   0.000330   0.000016
    22  H    0.000239  -0.000704   0.000548
    23  H    0.000053   0.000099   0.000109
    24  H   -0.000008   0.000005  -0.000038
    25  H    0.000004   0.000023   0.000004
    26  H    0.000000   0.000067   0.000026
    27  H   -0.000007  -0.000026  -0.000012
    28  H    0.007556  -0.020552   0.079738
    29  C   -0.279845   0.073370   0.684516
    30  H    0.000542  -0.000800   0.004032
    31  H    1.862576  -0.391266  -0.368203
    32  H   -0.391266   1.757589  -0.365614
    33  H   -0.368203  -0.365614   1.798407
 Mulliken charges:
               1
     1  C    1.103108
     2  C    0.669573
     3  C    1.194316
     4  C    0.348500
     5  C   -0.267391
     6  C   -0.168850
     7  C    1.831916
     8  C   -0.529455
     9  C    1.139883
    10  C    0.980633
    11  C    0.569480
    12  C    0.051234
    13  O   -0.177241
    14  O   -0.305741
    15  H   -0.976744
    16  H   -1.002865
    17  H   -0.775302
    18  H   -0.820770
    19  H   -0.571653
    20  H   -0.512106
    21  H   -0.680443
    22  H   -0.285356
    23  H   -0.182699
    24  H   -0.220428
    25  H   -0.162950
    26  H   -0.171160
    27  H   -0.153050
    28  H   -0.524617
    29  C    0.953979
    30  H    0.192539
    31  H   -0.206820
    32  H   -0.145737
    33  H   -0.193784
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.126364
     2  C    0.669573
     3  C    0.191451
     4  C    0.348500
     5  C   -1.042692
     6  C   -0.989620
     7  C    0.748158
     8  C   -1.209899
     9  C    0.451401
    10  C    0.493472
    11  C    0.044862
    12  C    0.051234
    13  O   -0.177241
    14  O   -0.113202
    29  C    0.407638
 Electronic spatial extent (au):  <R**2>=           4604.7595
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.1371    Y=             -0.4984    Z=              1.3977  Tot=              1.8695
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.9354   YY=            -89.5835   ZZ=            -91.2801
   XY=              1.5879   XZ=             -5.8786   YZ=              0.6076
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.3357   YY=              1.0161   ZZ=             -0.6804
   XY=              1.5879   XZ=             -5.8786   YZ=              0.6076
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -11.2496  YYY=             33.4840  ZZZ=             -0.5792  XYY=            -23.1135
  XXY=             -5.4707  XXZ=             29.3766  XZZ=              3.6357  YZZ=             -2.5967
  YYZ=             14.4367  XYZ=            -11.8694
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5061.9829 YYYY=           -700.6988 ZZZZ=           -473.4277 XXXY=             -1.1115
 XXXZ=           -102.7906 YYYX=           -103.3592 YYYZ=             31.6370 ZZZX=             -7.9851
 ZZZY=            -10.9947 XXYY=           -896.9335 XXZZ=           -936.9892 YYZZ=           -208.8977
 XXYZ=             52.0953 YYXZ=            -27.5025 ZZXY=              2.8924
 N-N= 9.730890188818D+02 E-N=-3.472533790260D+03  KE= 6.520926703335D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 16:02:51 2021, MaxMem=  6442450944 cpu:               6.1 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.30043098D-01-1.59800220D-01 5.36355790D-01
 Polarizability= 2.07843605D+02-1.40721032D+00 1.30367258D+02
                 2.09507671D+00-7.18914189D+00 1.40807429D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.0274   -1.0300       -0.6175   -0.6143
 2      1.0274    1.0300        3.8182    3.8199      -40.5750  -40.5714
 3      0.6175    0.6143       34.9876   34.9954       -3.8215   -3.8199
 4     -3.8182   -3.8199        0.0000    0.0000        0.6101    0.6143
 5      5.5874    5.5760       -0.6101   -0.6143       -1.0287   -1.0300
 6      3.8215    3.8199        1.0287    1.0300        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        3.0899    3.0899       -1.8428   -1.8428
 2    -11.4596  -11.4596       -0.0000    0.0000       -1.8428   -1.8428
 3    -11.4596  -11.4596        3.0899    3.0899       -0.0000    0.0000
 4      3.0899    3.0899       11.4596   11.4596     -121.7141 -121.7141
 5      1.8428    1.8428      104.9863  104.9863      -11.4596  -11.4596
 6     16.7279   16.7279       -1.8428   -1.8428       -3.0899   -3.0899
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2571    0.0000        4.9977    4.1199        3.3176    2.4570
 2     -4.4161   -4.1199      -15.0816  -15.2794      161.7338  162.2855
 3     -2.8296   -2.4570     -139.5374 -139.9817       15.4052   15.2794
 4     15.0051   15.2794        0.1066    0.0000       -2.1225   -2.4570
 5    -22.5715  -22.3038        2.4609    2.4570        4.0497    4.1199
 6    -15.0884  -15.2794       -4.1319   -4.1199       -0.0268    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1724    0.0000      -76.6430  -76.5178        9.3481    8.1253
 2     76.8417   76.5178       -6.7556   -7.0732       -2.8104   -3.4259
 3     -6.5020   -8.1253       38.8160   39.3612        6.1093    7.0732
 4      5.7639    7.0732       -0.8581    0.0000       -8.3002   -8.1253
 5    -36.0034  -35.9353        7.9762    8.1253      -77.8034  -76.5178
 6     -5.4775   -7.0732       76.7542   76.5178       -0.8248    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -15.4797  -15.4497        6.7062    6.3486      -46.8434  -47.7805
 2      1.5996    3.8528      -55.2940  -53.8593      -46.5935  -47.7805
 3      1.8443    3.8528        5.2371    6.3486      -63.3694  -64.6207
 4     60.1494   60.2079      -19.5258  -19.3025       18.2383   17.6467
 5    -15.8074  -16.8402       52.1075   51.5550       19.3083   19.3025
 6    -69.4046  -69.2017       16.0591   16.8402      -62.3382  -60.2079
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.2631   -0.0009    0.0007    0.0010    2.2520    3.7066
 Low frequencies ---   24.9151   36.5360   45.6681
 Diagonal vibrational polarizability:
       44.0726976      17.8066734       8.4641303
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.9146                36.5357                45.6673
 Red. masses --      3.6253                 5.9313                 4.0981
 Frc consts  --      0.0013                 0.0047                 0.0050
 IR Inten    --      0.1620                 0.8922                 0.8498
 RamAct Fr= 1--      0.3296                 0.8879                 1.4644
  Dep-P Fr= 1--      0.7480                 0.7065                 0.7315
  Dep-U Fr= 1--      0.8559                 0.8280                 0.8449
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0005
 Beta2  Fr= 1--      0.0470                 0.1225                 0.2062
 AlphaG Fr= 1--      0.0002                 0.0032                -0.0036
 Gamma2 Fr= 1--      0.1682                 0.1511                -0.8513
 Delta2 Fr= 1--      0.1084                 0.4835                -0.9833
 Raman1 Fr= 1--       1.318                  3.552                  5.858
 ROA1   Fr= 1--      19.620                 29.983               -113.196
 CID1   Fr= 1--      14.884                  8.442                -19.325
 Raman2 Fr= 1--       0.564                  1.470                  2.475
 ROA2   Fr= 1--       3.170                 -0.241                -12.566
 CID2   Fr= 1--       5.620                 -0.164                 -5.078
 Raman3 Fr= 1--       1.128                  2.941                  4.949
 ROA3   Fr= 1--      19.620                 29.983               -113.196
 CID3   Fr= 1--      17.391                 10.196                -22.872
 RC180  Fr= 1--       0.712                  0.656                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.10  -0.01    -0.01  -0.09  -0.04    -0.01  -0.13  -0.06
     2   6    -0.00   0.05  -0.05    -0.01  -0.06  -0.03     0.00  -0.04  -0.03
     3   6    -0.02   0.10   0.03    -0.01  -0.10  -0.04    -0.01  -0.13  -0.05
     4   6     0.01   0.05   0.02    -0.01  -0.07  -0.03     0.01  -0.03  -0.00
     5   6     0.03  -0.00  -0.02    -0.00  -0.06  -0.03     0.03   0.06   0.02
     6   6     0.03  -0.00  -0.05    -0.00  -0.05  -0.02     0.02   0.05   0.00
     7   6    -0.01   0.03  -0.10    -0.00   0.01  -0.00     0.00  -0.00  -0.05
     8   6     0.04  -0.08   0.03    -0.08   0.03   0.05    -0.02  -0.03   0.02
     9   6     0.05   0.00   0.22    -0.17   0.03   0.12    -0.15   0.00   0.21
    10   6     0.04  -0.10  -0.05    -0.06   0.14   0.03    -0.01   0.08  -0.13
    11   6     0.01   0.02   0.06    -0.00  -0.00  -0.01     0.01   0.02   0.03
    12   6    -0.05  -0.02  -0.05     0.08   0.03  -0.01     0.06   0.03  -0.01
    13   8    -0.12  -0.13  -0.06    -0.13  -0.01   0.07     0.25   0.07  -0.07
    14   8    -0.02   0.09  -0.12     0.44   0.10  -0.09    -0.13  -0.00   0.04
    15   1    -0.04   0.14  -0.01    -0.01  -0.10  -0.04    -0.03  -0.20  -0.09
    16   1    -0.04   0.13   0.06    -0.01  -0.12  -0.05    -0.03  -0.19  -0.06
    17   1     0.05  -0.04  -0.02    -0.00  -0.04  -0.02     0.04   0.13   0.05
    18   1     0.04  -0.05  -0.09    -0.00  -0.03  -0.02     0.04   0.12   0.03
    19   1    -0.03   0.16  -0.10     0.02   0.06   0.00    -0.01   0.07  -0.05
    20   1    -0.02  -0.03  -0.23     0.04   0.02  -0.03     0.03  -0.02  -0.11
    21   1     0.08  -0.21   0.03    -0.07  -0.04   0.05     0.07  -0.17   0.04
    22   1     0.06   0.01   0.28    -0.18  -0.05   0.14    -0.15  -0.08   0.33
    23   1     0.01   0.14   0.23    -0.19   0.10   0.12    -0.26   0.13   0.19
    24   1     0.08  -0.08   0.31    -0.22   0.04   0.15    -0.15  -0.02   0.25
    25   1    -0.00   0.04  -0.06    -0.07   0.22   0.04    -0.10   0.24  -0.15
    26   1     0.03  -0.16  -0.19     0.00   0.14  -0.02     0.08   0.05  -0.28
    27   1     0.07  -0.18   0.03    -0.12   0.15   0.08    -0.02   0.05  -0.07
    28   1     0.05   0.10   0.08     0.01   0.02  -0.01     0.03   0.05   0.03
    29   6     0.03  -0.08   0.15    -0.07   0.03   0.01    -0.04   0.03   0.06
    30   1    -0.06   0.06  -0.19     0.47   0.11  -0.09    -0.07   0.01   0.01
    31   1     0.03  -0.10   0.17    -0.07   0.11   0.02    -0.03   0.06   0.09
    32   1     0.07  -0.05   0.24    -0.14   0.01   0.03    -0.06   0.02   0.07
    33   1     0.01  -0.16   0.13    -0.07   0.00   0.01    -0.06   0.01   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     54.0153                67.5112               108.3575
 Red. masses --      4.0872                 3.0139                 4.7885
 Frc consts  --      0.0070                 0.0081                 0.0331
 IR Inten    --      0.3691                 0.1498                 0.0980
 RamAct Fr= 1--      4.3076                 0.1699                 2.3698
  Dep-P Fr= 1--      0.7492                 0.7265                 0.7358
  Dep-U Fr= 1--      0.8566                 0.8416                 0.8478
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0006
 Beta2  Fr= 1--      0.6150                 0.0238                 0.3349
 AlphaG Fr= 1--      0.0001                 0.0001                -0.0006
 Gamma2 Fr= 1--      0.3045                 0.5636                -0.4287
 Delta2 Fr= 1--      0.2287                 0.2740                -0.1293
 Raman1 Fr= 1--      17.230                  0.680                  9.479
 ROA1   Fr= 1--      36.547                 62.872                -45.288
 CID1   Fr= 1--       2.121                 92.510                 -4.778
 Raman2 Fr= 1--       7.380                  0.286                  4.018
 ROA2   Fr= 1--       5.477                 11.333                 -9.254
 CID2   Fr= 1--       0.742                 39.631                 -2.303
 Raman3 Fr= 1--      14.760                  0.572                  8.037
 ROA3   Fr= 1--      36.547                 62.872                -45.288
 CID3   Fr= 1--       2.476                109.924                 -5.635
 RC180  Fr= 1--       0.713                  0.683                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11  -0.08    -0.04  -0.03  -0.10    -0.09   0.10   0.07
     2   6    -0.01   0.07  -0.01    -0.01   0.01  -0.11    -0.07   0.13   0.07
     3   6    -0.03  -0.14  -0.09    -0.04  -0.05  -0.05    -0.09  -0.03   0.04
     4   6    -0.01   0.01  -0.04     0.00  -0.02  -0.02    -0.09  -0.12   0.02
     5   6     0.01   0.22   0.04     0.04  -0.00  -0.05    -0.07  -0.09   0.02
     6   6     0.01   0.25   0.05     0.03   0.01  -0.09    -0.06   0.04   0.05
     7   6    -0.01   0.03  -0.02    -0.01   0.06  -0.11    -0.07   0.13   0.02
     8   6     0.05  -0.04   0.02    -0.06   0.02   0.01     0.05   0.07  -0.01
     9   6     0.11   0.00   0.09     0.07   0.03  -0.05     0.16   0.11   0.01
    10   6     0.04  -0.11   0.00    -0.05  -0.03   0.26     0.03  -0.09  -0.10
    11   6    -0.02  -0.04  -0.05     0.01   0.00   0.05    -0.09  -0.10   0.00
    12   6    -0.05  -0.03   0.03     0.03   0.00   0.02     0.08  -0.05  -0.03
    13   8    -0.14  -0.00   0.08     0.08  -0.00   0.00     0.21  -0.01  -0.07
    14   8     0.04  -0.07   0.05    -0.02   0.01   0.03     0.14  -0.05  -0.04
    15   1    -0.03  -0.24  -0.12    -0.08  -0.04  -0.11    -0.09   0.16   0.09
    16   1    -0.04  -0.29  -0.15    -0.07  -0.07  -0.04    -0.11  -0.04   0.05
    17   1     0.02   0.35   0.08     0.08   0.02  -0.02    -0.07  -0.14   0.01
    18   1     0.02   0.40   0.11     0.06   0.04  -0.10    -0.05   0.06   0.04
    19   1    -0.02   0.07  -0.03     0.01   0.15  -0.10    -0.12   0.14   0.01
    20   1    -0.04  -0.00  -0.08     0.01   0.03  -0.18    -0.09   0.11  -0.03
    21   1     0.06  -0.07   0.02    -0.23   0.03  -0.03     0.11   0.09   0.01
    22   1     0.11   0.03   0.09     0.05   0.05  -0.26     0.18   0.20   0.04
    23   1     0.12   0.04   0.09     0.28   0.04  -0.00     0.15   0.10   0.01
    24   1     0.14  -0.04   0.12    -0.02   0.02   0.06     0.25   0.06   0.01
    25   1     0.04  -0.08  -0.00     0.13  -0.07   0.31    -0.04  -0.14  -0.12
    26   1     0.00  -0.14  -0.04    -0.15  -0.03   0.34    -0.04  -0.11  -0.10
    27   1     0.09  -0.16   0.03    -0.11  -0.04   0.33     0.14  -0.13  -0.15
    28   1    -0.02  -0.10  -0.06     0.07   0.04   0.07    -0.12  -0.07   0.00
    29   6     0.00  -0.00  -0.11    -0.06  -0.02   0.13    -0.15  -0.04  -0.00
    30   1     0.02  -0.06   0.10     0.00   0.01   0.01     0.30  -0.01  -0.07
    31   1     0.00  -0.04  -0.10    -0.04   0.01   0.20    -0.15   0.05  -0.03
    32   1     0.03  -0.01  -0.17    -0.06  -0.02   0.15    -0.25  -0.07   0.01
    33   1    -0.01   0.06  -0.09    -0.11  -0.06   0.11    -0.11  -0.07  -0.00
                      7                      8                      9
                      A                      A                      A
 Frequencies --    160.2674               198.0163               223.3358
 Red. masses --      3.8315                 2.8954                 1.0642
 Frc consts  --      0.0580                 0.0669                 0.0313
 IR Inten    --      0.1028                 0.5314                 0.1618
 RamAct Fr= 1--      1.5212                 0.3757                 0.0844
  Dep-P Fr= 1--      0.2011                 0.4425                 0.7465
  Dep-U Fr= 1--      0.3348                 0.6135                 0.8548
 Alpha2 Fr= 1--      0.0206                 0.0024                 0.0000
 Beta2  Fr= 1--      0.0849                 0.0384                 0.0120
 AlphaG Fr= 1--      0.0043                -0.0027                -0.0001
 Gamma2 Fr= 1--     -0.0355                 0.4721                 0.0913
 Delta2 Fr= 1--     -0.0478                 0.3031                 0.0365
 Raman1 Fr= 1--       6.085                  1.503                  0.337
 ROA1   Fr= 1--      -4.941                 55.022                  9.936
 CID1   Fr= 1--      -0.812                 36.610                 29.448
 Raman2 Fr= 1--       1.019                  0.461                  0.144
 ROA2   Fr= 1--      -0.471                  8.905                  1.900
 CID2   Fr= 1--      -0.462                 19.316                 13.172
 Raman3 Fr= 1--       2.037                  0.922                  0.288
 ROA3   Fr= 1--      -4.941                 55.022                  9.936
 CID3   Fr= 1--      -2.425                 59.671                 34.448
 RC180  Fr= 1--      -0.330                  0.227                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.07   0.02     0.04   0.11  -0.03     0.01   0.02  -0.00
     2   6    -0.06   0.01  -0.03    -0.01   0.05  -0.01     0.00   0.01  -0.01
     3   6    -0.06   0.10   0.10     0.03   0.11  -0.08     0.00   0.01  -0.00
     4   6     0.01   0.07   0.12    -0.00   0.06  -0.11     0.00  -0.00  -0.01
     5   6     0.03   0.10   0.10    -0.04   0.09  -0.07     0.00   0.01  -0.01
     6   6     0.02   0.07   0.02    -0.04   0.09  -0.02     0.00   0.02  -0.00
     7   6    -0.08  -0.03  -0.11    -0.00  -0.07   0.09     0.01  -0.01   0.00
     8   6    -0.11  -0.06  -0.04    -0.01  -0.04   0.04     0.00  -0.01  -0.00
     9   6    -0.11  -0.05  -0.03    -0.08  -0.09  -0.02    -0.01  -0.02  -0.01
    10   6    -0.11  -0.05   0.04    -0.01  -0.01   0.02     0.01   0.01   0.02
    11   6     0.00  -0.04   0.03     0.01  -0.03  -0.03     0.00  -0.00  -0.01
    12   6     0.05  -0.04  -0.00     0.02  -0.03  -0.01     0.00  -0.00  -0.00
    13   8     0.12  -0.03  -0.03     0.06   0.03   0.01    -0.01   0.01   0.01
    14   8     0.10  -0.02  -0.02     0.07  -0.09   0.03    -0.00  -0.02   0.01
    15   1    -0.11   0.06   0.00     0.08   0.13  -0.00     0.00   0.03  -0.00
    16   1    -0.10   0.11   0.14     0.05   0.13  -0.09     0.00   0.01  -0.00
    17   1     0.07   0.12   0.12    -0.08   0.10  -0.09     0.01   0.02  -0.00
    18   1     0.07   0.08  -0.01    -0.07   0.09   0.00     0.01   0.03  -0.00
    19   1    -0.11   0.04  -0.11     0.08  -0.17   0.10     0.01  -0.02   0.00
    20   1    -0.07  -0.05  -0.17    -0.10  -0.06   0.20    -0.01  -0.01   0.01
    21   1    -0.17  -0.09  -0.06     0.01  -0.00   0.04    -0.00  -0.01  -0.00
    22   1    -0.12  -0.08  -0.08    -0.06  -0.05   0.17     0.00   0.01   0.08
    23   1    -0.06  -0.01  -0.01    -0.29  -0.20  -0.08    -0.11  -0.07  -0.04
    24   1    -0.16  -0.05   0.03     0.04  -0.04  -0.21     0.05  -0.01  -0.09
    25   1    -0.04  -0.01   0.06    -0.02   0.01   0.01     0.04   0.13   0.03
    26   1    -0.14  -0.06   0.03     0.01  -0.01  -0.00     0.00  -0.04  -0.09
    27   1    -0.14  -0.07   0.11    -0.02  -0.00   0.02    -0.01  -0.05   0.12
    28   1    -0.09  -0.09  -0.00     0.12   0.01  -0.00    -0.00   0.01  -0.01
    29   6     0.21  -0.05  -0.13    -0.05  -0.13   0.13    -0.01  -0.01   0.01
    30   1     0.19  -0.00  -0.04     0.14  -0.06   0.08    -0.01  -0.02   0.03
    31   1     0.18  -0.18  -0.28    -0.01  -0.29   0.39    -0.07   0.38  -0.35
    32   1     0.29  -0.03  -0.14     0.14  -0.07   0.05    -0.39  -0.08   0.42
    33   1     0.34   0.02  -0.09    -0.33  -0.11   0.09     0.41  -0.36  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.2851               250.0408               255.1630
 Red. masses --      1.0897                 1.5616                 1.7810
 Frc consts  --      0.0338                 0.0575                 0.0683
 IR Inten    --      0.2137                 0.1212                 0.9318
 RamAct Fr= 1--      0.0696                 1.3682                 0.4393
  Dep-P Fr= 1--      0.7064                 0.4222                 0.7058
  Dep-U Fr= 1--      0.8279                 0.5937                 0.8275
 Alpha2 Fr= 1--      0.0001                 0.0093                 0.0003
 Beta2  Fr= 1--      0.0096                 0.1354                 0.0606
 AlphaG Fr= 1--      0.0003                -0.0268                -0.0018
 Gamma2 Fr= 1--     -0.0699                -0.7738                 0.5265
 Delta2 Fr= 1--      0.0176                 0.0521                 0.1930
 Raman1 Fr= 1--       0.278                  5.473                  1.757
 ROA1   Fr= 1--      -6.146                -72.618                 56.715
 CID1   Fr= 1--     -22.079                -13.269                 32.279
 Raman2 Fr= 1--       0.115                  1.625                  0.727
 ROA2   Fr= 1--      -1.817                -18.989                 11.091
 CID2   Fr= 1--     -15.773                -11.688                 15.255
 Raman3 Fr= 1--       0.230                  3.249                  1.454
 ROA3   Fr= 1--      -6.146                -72.618                 56.715
 CID3   Fr= 1--     -26.668                -22.349                 39.006
 RC180  Fr= 1--       0.656                  0.187                  0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.01    -0.01  -0.05  -0.03    -0.00  -0.05   0.00
     2   6     0.00   0.00   0.00    -0.02  -0.01  -0.01    -0.02  -0.04   0.03
     3   6    -0.01  -0.01   0.02    -0.01  -0.04  -0.03    -0.00  -0.01  -0.02
     4   6    -0.00  -0.01   0.02     0.01   0.01  -0.00    -0.01   0.03  -0.02
     5   6     0.01  -0.01   0.01    -0.01  -0.03  -0.02    -0.05  -0.01  -0.01
     6   6     0.01  -0.00   0.00    -0.01  -0.05  -0.02    -0.05  -0.05   0.01
     7   6     0.00   0.00  -0.01    -0.02   0.05   0.03    -0.02   0.00   0.03
     8   6     0.01  -0.00  -0.01    -0.03   0.05   0.03    -0.01   0.03  -0.01
     9   6     0.02  -0.01  -0.03     0.01   0.07   0.02     0.06   0.05  -0.00
    10   6     0.01   0.02   0.03    -0.05  -0.06  -0.00    -0.02   0.01  -0.04
    11   6    -0.01  -0.00   0.01     0.02   0.03   0.00    -0.01   0.03  -0.03
    12   6    -0.00  -0.00   0.00     0.00   0.03   0.00    -0.02   0.03  -0.03
    13   8    -0.00  -0.02  -0.00    -0.00   0.04   0.01    -0.01   0.11   0.00
    14   8    -0.01   0.02  -0.01    -0.00   0.02   0.01     0.02  -0.03   0.02
    15   1    -0.02  -0.00   0.00    -0.01  -0.08  -0.04     0.02  -0.08   0.00
    16   1    -0.01  -0.02   0.02    -0.02  -0.06  -0.03     0.02  -0.01  -0.04
    17   1     0.02  -0.02   0.01    -0.01  -0.03  -0.02    -0.08   0.00  -0.02
    18   1     0.01  -0.00  -0.00    -0.01  -0.06  -0.03    -0.07  -0.07   0.02
    19   1    -0.00  -0.01  -0.01     0.00   0.06   0.03    -0.03  -0.04   0.03
    20   1    -0.00   0.00  -0.01    -0.00   0.06   0.03     0.00   0.03   0.07
    21   1    -0.01   0.00  -0.01    -0.02   0.08   0.03    -0.00   0.04  -0.01
    22   1     0.06   0.11   0.20     0.09   0.28   0.42     0.01  -0.02  -0.31
    23   1    -0.23  -0.13  -0.10    -0.40  -0.11  -0.09     0.38   0.17   0.08
    24   1     0.22  -0.01  -0.23     0.38   0.03  -0.29    -0.14   0.03   0.23
    25   1     0.11   0.49   0.07    -0.10  -0.27  -0.02    -0.00   0.34  -0.03
    26   1    -0.04  -0.17  -0.37    -0.11  -0.02   0.14    -0.05  -0.14  -0.35
    27   1    -0.03  -0.23   0.44     0.04  -0.02  -0.16     0.00  -0.18   0.23
    28   1    -0.02  -0.02   0.01     0.02   0.04   0.01    -0.00   0.07  -0.02
    29   6    -0.01   0.03  -0.02     0.11  -0.04   0.01     0.10  -0.11   0.05
    30   1    -0.01   0.01  -0.03    -0.01   0.02   0.02     0.05  -0.00   0.07
    31   1    -0.00  -0.06   0.07     0.10  -0.11  -0.05     0.09  -0.21   0.01
    32   1     0.07   0.03  -0.15     0.17  -0.01   0.09     0.20  -0.05   0.17
    33   1    -0.12   0.15  -0.01     0.16  -0.09   0.01     0.11  -0.22   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    298.2527               321.6383               348.6184
 Red. masses --      2.7376                 3.4700                 3.3408
 Frc consts  --      0.1435                 0.2115                 0.2392
 IR Inten    --      0.9187                 0.3598                 0.9915
 RamAct Fr= 1--      1.6756                 0.3443                 1.9356
  Dep-P Fr= 1--      0.0728                 0.6451                 0.6830
  Dep-U Fr= 1--      0.1357                 0.7843                 0.8116
 Alpha2 Fr= 1--      0.0313                 0.0007                 0.0023
 Beta2  Fr= 1--      0.0379                 0.0450                 0.2618
 AlphaG Fr= 1--      0.0202                 0.0003                -0.0020
 Gamma2 Fr= 1--     -0.1516                 0.7744                 0.3707
 Delta2 Fr= 1--     -0.2695                 0.3996                -0.3902
 Raman1 Fr= 1--       6.702                  1.377                  7.743
 ROA1   Fr= 1--     -23.176                 87.128                 23.098
 CID1   Fr= 1--      -3.458                 63.272                  2.983
 Raman2 Fr= 1--       0.455                  0.540                  3.142
 ROA2   Fr= 1--      -1.482                 15.388                 12.018
 CID2   Fr= 1--      -3.258                 28.497                  3.825
 Raman3 Fr= 1--       0.910                  1.080                  6.284
 ROA3   Fr= 1--     -23.176                 87.128                 23.098
 CID3   Fr= 1--     -25.477                 80.674                  3.676
 RC180  Fr= 1--      -0.729                  0.569                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02   0.03    -0.09  -0.00  -0.10    -0.02   0.09   0.00
     2   6     0.01  -0.01  -0.00    -0.06   0.05  -0.08     0.01   0.19   0.02
     3   6    -0.05  -0.02   0.06    -0.11  -0.01  -0.06    -0.03  -0.14  -0.02
     4   6    -0.06  -0.01   0.06    -0.07   0.03  -0.02     0.01  -0.14  -0.00
     5   6    -0.02  -0.01   0.03    -0.06  -0.00  -0.07     0.03  -0.15  -0.02
     6   6    -0.01  -0.01   0.00    -0.08   0.00  -0.11     0.05   0.08  -0.00
     7   6     0.04  -0.01  -0.11    -0.00  -0.05   0.13     0.00   0.09   0.03
     8   6     0.09  -0.07  -0.04     0.07  -0.03   0.07     0.06  -0.00   0.06
     9   6     0.04  -0.07   0.01     0.08  -0.06   0.01    -0.14  -0.12  -0.05
    10   6     0.14   0.14   0.07     0.10   0.12  -0.01     0.04  -0.08   0.01
    11   6    -0.09   0.00  -0.03    -0.04  -0.01   0.10     0.02   0.02  -0.00
    12   6    -0.05   0.04  -0.06    -0.01  -0.02   0.11     0.02   0.06  -0.01
    13   8    -0.03   0.15  -0.02     0.08  -0.12   0.04    -0.04   0.09   0.02
    14   8     0.01  -0.04  -0.01     0.00   0.12   0.02    -0.04   0.07  -0.01
    15   1    -0.10  -0.01   0.01    -0.13  -0.03  -0.12    -0.05   0.13   0.00
    16   1    -0.05  -0.02   0.06    -0.13  -0.04  -0.05    -0.07  -0.21  -0.02
    17   1     0.02  -0.02   0.05    -0.04  -0.04  -0.07     0.06  -0.23  -0.04
    18   1    -0.01  -0.01   0.00    -0.07  -0.03  -0.13     0.09   0.11  -0.02
    19   1    -0.06   0.12  -0.13     0.16  -0.23   0.16     0.01   0.14   0.04
    20   1     0.05  -0.07  -0.26    -0.16  -0.04   0.32    -0.10   0.02  -0.04
    21   1     0.06  -0.12  -0.04     0.12   0.01   0.09     0.08   0.02   0.07
    22   1     0.07  -0.03   0.19     0.07  -0.07  -0.08    -0.20  -0.39  -0.17
    23   1    -0.15  -0.11  -0.04     0.16  -0.10   0.03    -0.08  -0.17  -0.04
    24   1     0.17  -0.07  -0.12     0.03  -0.04   0.02    -0.41   0.07  -0.08
    25   1     0.22   0.00   0.09     0.03   0.15  -0.02     0.02  -0.06   0.00
    26   1     0.31   0.29   0.29     0.27   0.17  -0.00    -0.04  -0.14  -0.06
    27   1    -0.07   0.36  -0.05     0.00   0.21  -0.05     0.14  -0.17   0.05
    28   1    -0.15   0.06  -0.03    -0.01  -0.10   0.08    -0.01   0.05  -0.00
    29   6    -0.00  -0.10   0.01     0.10   0.01  -0.04     0.08  -0.03   0.00
    30   1     0.10   0.00   0.05     0.07   0.10  -0.12    -0.13   0.04  -0.02
    31   1    -0.00  -0.22   0.02     0.07  -0.06  -0.23     0.07  -0.14  -0.01
    32   1     0.12  -0.05   0.05     0.14   0.02  -0.03     0.18   0.01   0.02
    33   1    -0.04  -0.14  -0.01     0.28   0.06   0.00     0.08  -0.04   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    386.8639               410.7315               419.5371
 Red. masses --      2.8826                 2.6166                 2.9500
 Frc consts  --      0.2542                 0.2601                 0.3059
 IR Inten    --      0.6359                 0.1174                 0.0142
 RamAct Fr= 1--      0.9957                 4.8614                 0.1478
  Dep-P Fr= 1--      0.1694                 0.1077                 0.1154
  Dep-U Fr= 1--      0.2898                 0.1945                 0.2069
 Alpha2 Fr= 1--      0.0146                 0.0835                 0.0025
 Beta2  Fr= 1--      0.0481                 0.1576                 0.0051
 AlphaG Fr= 1--      0.0033                -0.0336                -0.0336
 Gamma2 Fr= 1--      0.3452                -0.2313                -0.4760
 Delta2 Fr= 1--      0.1363                 0.0532                -0.0317
 Raman1 Fr= 1--       3.983                 19.446                  0.591
 ROA1   Fr= 1--      37.499                -20.502                -46.712
 CID1   Fr= 1--       9.415                 -1.054                -79.028
 Raman2 Fr= 1--       0.577                  1.891                  0.061
 ROA2   Fr= 1--       7.195                 -5.977                -11.171
 CID2   Fr= 1--      12.469                 -3.160               -182.719
 Raman3 Fr= 1--       1.154                  3.783                  0.122
 ROA3   Fr= 1--      37.499                -20.502                -46.712
 CID3   Fr= 1--      32.495                 -5.420               -382.010
 RC180  Fr= 1--      -0.420                 -0.611                 -0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.03   0.07     0.01   0.10   0.02     0.02   0.18   0.08
     2   6    -0.02   0.00   0.14    -0.04   0.05   0.02     0.00  -0.01   0.02
     3   6     0.05   0.02  -0.10     0.01  -0.08  -0.03    -0.02  -0.18  -0.08
     4   6    -0.01   0.01  -0.13     0.05  -0.09  -0.02    -0.01   0.01  -0.01
     5   6    -0.12  -0.03  -0.08     0.03  -0.02   0.03    -0.00   0.20   0.06
     6   6    -0.09   0.01   0.12     0.02   0.02   0.03    -0.03  -0.20  -0.06
     7   6    -0.05   0.06  -0.12    -0.08  -0.04  -0.01     0.01   0.01  -0.01
     8   6     0.01  -0.04  -0.05    -0.12  -0.10   0.06     0.03   0.02  -0.03
     9   6    -0.01  -0.03  -0.02     0.13  -0.07   0.01    -0.03   0.01  -0.00
    10   6     0.03   0.02   0.02    -0.13   0.11  -0.04     0.03  -0.02   0.01
    11   6     0.03   0.01   0.01     0.09   0.02  -0.02    -0.01  -0.00   0.01
    12   6     0.02  -0.01   0.08     0.06   0.02  -0.04    -0.01  -0.00   0.01
    13   8     0.04  -0.09   0.04    -0.03   0.02   0.00     0.01  -0.01   0.00
    14   8    -0.01   0.09   0.03    -0.01  -0.01  -0.01     0.00   0.01   0.01
    15   1     0.18  -0.07   0.12     0.04   0.17   0.05     0.05   0.39   0.16
    16   1     0.13   0.04  -0.16    -0.03  -0.13  -0.03    -0.02  -0.40  -0.17
    17   1    -0.25  -0.04  -0.15     0.01   0.02   0.03     0.01   0.42   0.13
    18   1    -0.18   0.03   0.21     0.06   0.02  -0.00    -0.08  -0.43  -0.13
    19   1    -0.32   0.34  -0.17    -0.08   0.03  -0.01    -0.02   0.00  -0.02
    20   1     0.09  -0.02  -0.46    -0.12  -0.09  -0.07     0.02   0.01  -0.02
    21   1    -0.01  -0.08  -0.06    -0.14  -0.11   0.06     0.02   0.01  -0.03
    22   1    -0.01  -0.04   0.03     0.17   0.23  -0.09    -0.04  -0.06   0.03
    23   1    -0.06  -0.02  -0.03     0.25  -0.21   0.02    -0.06   0.06  -0.01
    24   1     0.00  -0.03  -0.04     0.32  -0.18  -0.02    -0.08   0.03   0.01
    25   1     0.11   0.02   0.05    -0.28   0.18  -0.09     0.09  -0.04   0.03
    26   1     0.05   0.05   0.07     0.15   0.19  -0.07    -0.03  -0.03   0.03
    27   1    -0.06   0.06   0.05    -0.24   0.26  -0.14     0.04  -0.05   0.04
    28   1     0.13  -0.06   0.01     0.07   0.06  -0.02     0.00  -0.02   0.00
    29   6     0.05  -0.00   0.00     0.03   0.03   0.02     0.00  -0.00  -0.00
    30   1    -0.03   0.05  -0.07    -0.18  -0.05   0.05     0.03   0.01  -0.01
    31   1     0.04  -0.02  -0.05     0.04   0.06   0.08     0.00  -0.01  -0.02
    32   1     0.07   0.01   0.05     0.02   0.03   0.01     0.01  -0.00  -0.00
    33   1     0.11  -0.03   0.01    -0.02   0.02   0.01     0.01  -0.00  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    424.9031               452.1944               551.3813
 Red. masses --      2.2179                 3.7049                 2.4558
 Frc consts  --      0.2359                 0.4464                 0.4399
 IR Inten    --      0.9734                 6.7223                11.9599
 RamAct Fr= 1--      0.8213                 1.7095                 1.0858
  Dep-P Fr= 1--      0.5248                 0.1568                 0.3199
  Dep-U Fr= 1--      0.6884                 0.2711                 0.4847
 Alpha2 Fr= 1--      0.0036                 0.0260                 0.0105
 Beta2  Fr= 1--      0.0942                 0.0772                 0.0877
 AlphaG Fr= 1--      0.0026                 0.0035                 0.0198
 Gamma2 Fr= 1--     -0.4267                 0.1219                -0.0658
 Delta2 Fr= 1--     -0.1500                 0.0268                 0.0032
 Raman1 Fr= 1--       3.285                  6.838                  4.343
 ROA1   Fr= 1--     -45.759                 12.563                 -6.215
 CID1   Fr= 1--     -13.929                  1.837                 -1.431
 Raman2 Fr= 1--       1.131                  0.927                  1.053
 ROA2   Fr= 1--      -9.039                  2.712                 -1.605
 CID2   Fr= 1--      -7.994                  2.926                 -1.525
 Raman3 Fr= 1--       2.261                  1.854                  2.105
 ROA3   Fr= 1--     -45.759                 12.563                 -6.215
 CID3   Fr= 1--     -20.235                  6.777                 -2.953
 RC180  Fr= 1--       0.377                 -0.458                 -0.031
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.02     0.07   0.02   0.03     0.07   0.00   0.04
     2   6    -0.00  -0.03  -0.01     0.09  -0.09  -0.04     0.09   0.13   0.05
     3   6    -0.01   0.03   0.01     0.06   0.02   0.03     0.04  -0.08  -0.01
     4   6     0.00   0.10   0.03    -0.03  -0.06  -0.02    -0.03   0.11   0.03
     5   6    -0.00   0.05   0.01     0.05   0.05  -0.02     0.02  -0.05  -0.07
     6   6    -0.01  -0.07  -0.03     0.07   0.02  -0.02     0.04   0.03  -0.01
     7   6     0.01   0.14   0.01     0.08   0.01  -0.02     0.05  -0.03  -0.02
     8   6     0.02   0.02   0.19    -0.06   0.01   0.10    -0.05  -0.03  -0.03
     9   6     0.01  -0.10  -0.04     0.03  -0.02  -0.01     0.01  -0.01   0.00
    10   6     0.00   0.00  -0.03    -0.10  -0.00  -0.04    -0.08   0.00  -0.01
    11   6    -0.00   0.02   0.01    -0.12  -0.11  -0.02    -0.10   0.03   0.08
    12   6    -0.01  -0.02  -0.02    -0.07   0.01   0.10    -0.14  -0.01   0.01
    13   8     0.00  -0.03  -0.03     0.04   0.06   0.08     0.01  -0.01  -0.06
    14   8     0.02  -0.08   0.00    -0.04   0.20  -0.01    -0.00  -0.06   0.02
    15   1    -0.02  -0.10  -0.03     0.06   0.12   0.05     0.04  -0.16  -0.03
    16   1    -0.01   0.03   0.00     0.11   0.10   0.02     0.09  -0.27  -0.14
    17   1    -0.00   0.06   0.01     0.11   0.13   0.03     0.04  -0.27  -0.13
    18   1    -0.02  -0.12  -0.04     0.04   0.10   0.03    -0.02  -0.16  -0.04
    19   1    -0.02   0.51   0.01     0.12   0.19  -0.00     0.04  -0.08  -0.03
    20   1     0.09   0.03  -0.33     0.17  -0.00  -0.13     0.00  -0.03   0.03
    21   1     0.06   0.04   0.20    -0.08  -0.00   0.09    -0.09  -0.06  -0.04
    22   1    -0.02  -0.14  -0.20     0.04   0.10  -0.10     0.02   0.07   0.00
    23   1     0.09  -0.38  -0.05     0.11  -0.18  -0.01     0.03   0.01   0.01
    24   1    -0.08   0.08  -0.23     0.08  -0.01  -0.09     0.07  -0.08   0.04
    25   1    -0.23   0.06  -0.10    -0.29   0.02  -0.09    -0.10   0.00  -0.01
    26   1     0.08  -0.03  -0.16    -0.05  -0.03  -0.13    -0.06   0.01  -0.01
    27   1     0.12  -0.03  -0.11     0.01  -0.03  -0.11    -0.09   0.02  -0.02
    28   1    -0.01   0.04   0.01    -0.09  -0.23  -0.04    -0.06   0.04   0.09
    29   6    -0.01   0.04   0.01    -0.09  -0.18  -0.09     0.01   0.04   0.02
    30   1     0.08  -0.04   0.08     0.12   0.17  -0.31     0.69   0.14  -0.03
    31   1    -0.01   0.08   0.03    -0.10  -0.24  -0.13    -0.01  -0.01  -0.10
    32   1    -0.05   0.03  -0.00    -0.04  -0.15  -0.03     0.03   0.05  -0.02
    33   1    -0.02   0.06   0.01    -0.05  -0.22  -0.09     0.11   0.12   0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --    566.1443               619.3203               642.9349
 Red. masses --      2.7667                 1.7552                 2.9798
 Frc consts  --      0.5225                 0.3967                 0.7257
 IR Inten    --     35.8469                63.2709                28.3496
 RamAct Fr= 1--      0.1854                 1.2101                 2.9206
  Dep-P Fr= 1--      0.2970                 0.7069                 0.6400
  Dep-U Fr= 1--      0.4580                 0.8283                 0.7805
 Alpha2 Fr= 1--      0.0019                 0.0009                 0.0058
 Beta2  Fr= 1--      0.0141                 0.1671                 0.3799
 AlphaG Fr= 1--     -0.0103                 0.0082                -0.0140
 Gamma2 Fr= 1--      0.0256                -1.2110                -0.2221
 Delta2 Fr= 1--     -0.0898                 0.0217                -0.0804
 Raman1 Fr= 1--       0.741                  4.841                 11.683
 ROA1   Fr= 1--      -0.419               -115.560                -23.891
 CID1   Fr= 1--      -0.565                -23.873                 -2.045
 Raman2 Fr= 1--       0.170                  2.005                  4.559
 ROA2   Fr= 1--       1.331                -29.237                 -4.686
 CID2   Fr= 1--       7.841                -14.585                 -1.028
 Raman3 Fr= 1--       0.340                  4.009                  9.118
 ROA3   Fr= 1--      -0.419               -115.560                -23.891
 CID3   Fr= 1--      -1.234                -28.823                 -2.620
 RC180  Fr= 1--      -0.084                  0.657                  0.561
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.05  -0.06    -0.02   0.00  -0.03     0.07   0.03  -0.10
     2   6    -0.05   0.16   0.05    -0.07  -0.05  -0.00    -0.03  -0.01  -0.06
     3   6     0.03   0.02  -0.00    -0.01   0.03  -0.05     0.10  -0.04   0.07
     4   6     0.10   0.17   0.07     0.06  -0.05  -0.03     0.03  -0.05   0.04
     5   6     0.04  -0.00   0.06     0.04   0.00   0.02    -0.07  -0.04   0.12
     6   6     0.02  -0.08   0.01     0.02  -0.03   0.04    -0.09   0.03  -0.04
     7   6    -0.10   0.03   0.02    -0.07   0.02   0.02    -0.03   0.01  -0.00
     8   6     0.00  -0.03  -0.04     0.01   0.00   0.00     0.00   0.00  -0.00
     9   6     0.00  -0.02   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.01   0.01   0.00     0.04   0.00   0.00     0.02  -0.00   0.00
    11   6     0.06  -0.06  -0.10     0.07  -0.05   0.03     0.01   0.10  -0.14
    12   6     0.02  -0.03   0.03    -0.05  -0.05   0.00     0.02   0.09   0.01
    13   8     0.02   0.02   0.06    -0.02   0.07   0.04    -0.02  -0.13  -0.06
    14   8    -0.01   0.06  -0.02    -0.07  -0.02  -0.05    -0.03   0.03   0.15
    15   1     0.01  -0.38  -0.16     0.05   0.08   0.03     0.03   0.12  -0.09
    16   1    -0.05  -0.25  -0.06    -0.04   0.13   0.02     0.03   0.00   0.15
    17   1    -0.01  -0.27  -0.05    -0.01   0.12   0.04    -0.02   0.03   0.17
    18   1     0.06  -0.39  -0.16     0.08   0.08   0.05     0.00   0.12  -0.07
    19   1    -0.12  -0.05   0.01    -0.09   0.02   0.02    -0.02   0.04  -0.00
    20   1    -0.20   0.01   0.06    -0.07   0.01   0.00    -0.02   0.00  -0.04
    21   1     0.01  -0.02  -0.03     0.05   0.03   0.01     0.02   0.01   0.00
    22   1     0.00  -0.03   0.02    -0.01  -0.03   0.01    -0.00  -0.01   0.00
    23   1    -0.01   0.02   0.01    -0.01   0.00  -0.00    -0.01   0.00  -0.00
    24   1    -0.00  -0.04   0.03    -0.03   0.02  -0.01    -0.01   0.01  -0.01
    25   1     0.07   0.02   0.02     0.07   0.01   0.01     0.03   0.00   0.00
    26   1     0.04   0.03   0.04     0.05   0.01   0.02     0.02   0.00   0.01
    27   1    -0.07   0.05   0.03     0.01   0.01   0.02     0.00   0.00   0.01
    28   1     0.04  -0.15  -0.12     0.12  -0.04   0.04    -0.05   0.05  -0.16
    29   6    -0.08  -0.09  -0.06     0.03   0.03   0.02    -0.02  -0.02  -0.03
    30   1    -0.12  -0.00  -0.16     0.78   0.15  -0.40     0.68   0.25   0.15
    31   1    -0.05   0.04   0.12     0.03   0.13   0.03     0.00  -0.09   0.11
    32   1    -0.19  -0.12  -0.00    -0.08  -0.03  -0.07     0.08   0.04   0.16
    33   1    -0.24  -0.21  -0.11     0.03   0.11   0.04    -0.16  -0.26  -0.11
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.6842               720.5412               754.1943
 Red. masses --      5.0950                 3.1232                 3.9114
 Frc consts  --      1.3302                 0.9554                 1.3108
 IR Inten    --      8.0118                35.8887                 6.3018
 RamAct Fr= 1--      5.2876                 2.6471                 5.7687
  Dep-P Fr= 1--      0.4886                 0.0370                 0.0559
  Dep-U Fr= 1--      0.6564                 0.0714                 0.1059
 Alpha2 Fr= 1--      0.0275                 0.0539                 0.1124
 Beta2  Fr= 1--      0.5785                 0.0315                 0.1018
 AlphaG Fr= 1--     -0.0642                 0.0448                 0.0518
 Gamma2 Fr= 1--     -0.1591                 0.6705                -0.4102
 Delta2 Fr= 1--     -0.0797                 0.1140                 0.0463
 Raman1 Fr= 1--      21.150                 10.588                 23.075
 ROA1   Fr= 1--     -17.823                 68.018                -37.896
 CID1   Fr= 1--      -0.843                  6.424                 -1.642
 Raman2 Fr= 1--       6.942                  0.378                  1.222
 ROA2   Fr= 1--      -3.181                 15.180                -10.216
 CID2   Fr= 1--      -0.458                 40.152                 -8.362
 Raman3 Fr= 1--      13.884                  0.756                  2.443
 ROA3   Fr= 1--     -17.823                 68.018                -37.896
 CID3   Fr= 1--      -1.284                 89.954                -15.509
 RC180  Fr= 1--       0.313                 -0.857                 -0.788
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.04   0.15    -0.09   0.03   0.11    -0.00  -0.16   0.02
     2   6    -0.01  -0.04   0.07     0.07  -0.02  -0.01     0.08   0.22   0.08
     3   6    -0.21   0.06  -0.10    -0.10  -0.03   0.05     0.02   0.11   0.09
     4   6     0.01   0.01  -0.07    -0.04   0.08   0.03    -0.08  -0.22  -0.07
     5   6     0.20   0.03  -0.14    -0.08  -0.00  -0.04    -0.00   0.15  -0.02
     6   6     0.24  -0.07   0.12    -0.07   0.07  -0.02    -0.03  -0.11  -0.10
     7   6    -0.02  -0.01   0.03     0.17  -0.07  -0.06     0.03   0.08   0.01
     8   6     0.00   0.01   0.01     0.00   0.02   0.04    -0.00  -0.02  -0.06
     9   6     0.00  -0.00   0.00    -0.01   0.02  -0.00     0.02  -0.07   0.01
    10   6     0.01   0.00   0.00    -0.03   0.00   0.01    -0.07   0.01  -0.01
    11   6    -0.00   0.08  -0.11     0.11   0.01  -0.10    -0.02  -0.01   0.02
    12   6     0.02   0.12  -0.01     0.18  -0.03  -0.01     0.16   0.03  -0.04
    13   8    -0.02  -0.11  -0.09    -0.02  -0.00   0.10    -0.04  -0.01   0.02
    14   8    -0.00   0.04   0.14    -0.08  -0.02  -0.04    -0.05  -0.01   0.01
    15   1    -0.11  -0.03   0.19    -0.22  -0.08   0.01    -0.07  -0.33  -0.06
    16   1    -0.17   0.09  -0.12    -0.12  -0.25  -0.04     0.12   0.34   0.12
    17   1     0.13   0.09  -0.15    -0.10  -0.23  -0.12     0.07   0.35   0.07
    18   1     0.21  -0.03   0.16    -0.19  -0.08   0.00    -0.12  -0.32  -0.12
    19   1     0.02  -0.10   0.04     0.21  -0.03  -0.05     0.03  -0.07   0.00
    20   1    -0.06   0.02   0.12     0.21  -0.04  -0.04    -0.08   0.08   0.14
    21   1     0.02   0.02   0.02    -0.08  -0.03   0.01    -0.02  -0.05  -0.06
    22   1     0.00  -0.01   0.00    -0.00   0.05  -0.03     0.02  -0.07   0.05
    23   1    -0.00  -0.01   0.00     0.01  -0.02  -0.00    -0.00   0.01   0.01
    24   1    -0.00   0.01  -0.01     0.01   0.03  -0.03     0.03  -0.11   0.07
    25   1     0.00   0.00  -0.00    -0.15  -0.03  -0.03     0.00   0.01   0.01
    26   1     0.02   0.00  -0.00    -0.07  -0.04  -0.05    -0.08   0.02   0.03
    27   1     0.01   0.00  -0.00     0.11  -0.05  -0.06    -0.14   0.03   0.03
    28   1    -0.04   0.04  -0.13     0.05   0.01  -0.12    -0.03   0.10   0.04
    29   6    -0.04  -0.05  -0.06     0.03   0.02  -0.00     0.01   0.01   0.02
    30   1     0.32   0.18   0.31     0.34   0.02  -0.38     0.21   0.04  -0.08
    31   1    -0.02  -0.12   0.05     0.07   0.14   0.21    -0.01  -0.08  -0.08
    32   1     0.06   0.02   0.12    -0.03   0.01   0.09     0.09   0.03  -0.01
    33   1    -0.14  -0.26  -0.12    -0.15  -0.13  -0.06     0.10   0.06   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --    806.3253               822.9534               838.2083
 Red. masses --      2.2055                 3.8156                 2.7210
 Frc consts  --      0.8448                 1.5225                 1.1264
 IR Inten    --      8.5112                 9.5522                 0.4200
 RamAct Fr= 1--     28.0018                 1.2435                 4.9794
  Dep-P Fr= 1--      0.0552                 0.1463                 0.1004
  Dep-U Fr= 1--      0.1047                 0.2553                 0.1825
 Alpha2 Fr= 1--      0.5463                 0.0194                 0.0871
 Beta2  Fr= 1--      0.4886                 0.0529                 0.1515
 AlphaG Fr= 1--      0.0739                 0.0237                -0.0395
 Gamma2 Fr= 1--     -2.0056                 1.1402                 4.2490
 Delta2 Fr= 1--     -1.4363                 0.3280                 2.9410
 Raman1 Fr= 1--     112.007                  4.974                 19.918
 ROA1   Fr= 1--    -238.498                119.956                502.019
 CID1   Fr= 1--      -2.129                 24.117                 25.205
 Raman2 Fr= 1--       5.864                  0.635                  1.817
 ROA2   Fr= 1--     -36.644                 24.740                 78.449
 CID2   Fr= 1--      -6.249                 38.962                 43.164
 Raman3 Fr= 1--      11.727                  1.270                  3.635
 ROA3   Fr= 1--    -238.498                119.956                502.019
 CID3   Fr= 1--     -20.337                 94.456                138.110
 RC180  Fr= 1--      -0.791                 -0.489                 -0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.04     0.07   0.02   0.02     0.02  -0.03   0.04
     2   6     0.02  -0.01  -0.01    -0.02  -0.11  -0.03     0.00   0.06   0.02
     3   6    -0.00  -0.07   0.03     0.06  -0.05   0.01     0.04  -0.02   0.07
     4   6    -0.01   0.08   0.03    -0.04   0.12   0.05    -0.04  -0.02  -0.01
     5   6    -0.00  -0.05  -0.05     0.05  -0.00  -0.10     0.05  -0.01  -0.07
     6   6     0.00  -0.03  -0.04     0.04   0.04  -0.04     0.04  -0.02  -0.06
     7   6     0.01   0.14   0.04    -0.15   0.05   0.08    -0.11  -0.09  -0.00
     8   6     0.01   0.00  -0.10    -0.01  -0.01  -0.02    -0.04  -0.04   0.08
     9   6     0.05  -0.12   0.03     0.00  -0.01  -0.00    -0.06   0.13  -0.03
    10   6    -0.09   0.01  -0.02     0.02  -0.01  -0.02     0.11  -0.02   0.02
    11   6     0.01   0.06  -0.08    -0.12   0.01   0.11    -0.07   0.11  -0.10
    12   6    -0.05  -0.06   0.05     0.31   0.04  -0.08    -0.03  -0.07   0.06
    13   8     0.04  -0.01   0.04    -0.06  -0.02   0.06     0.04  -0.02   0.07
    14   8     0.01  -0.02  -0.04    -0.07  -0.04  -0.01     0.00  -0.04  -0.07
    15   1    -0.02   0.33   0.15     0.12   0.14   0.08    -0.01  -0.07   0.02
    16   1     0.04   0.16   0.10     0.15  -0.16  -0.11     0.11   0.06   0.05
    17   1     0.07   0.27   0.08     0.13  -0.15  -0.11     0.17   0.26   0.06
    18   1     0.02   0.41   0.13     0.05   0.19   0.01     0.06   0.12  -0.02
    19   1     0.06  -0.04   0.05    -0.20   0.13   0.06    -0.18   0.02  -0.01
    20   1    -0.00   0.20   0.20    -0.09   0.03  -0.03    -0.22  -0.19  -0.14
    21   1     0.08   0.02  -0.08     0.12   0.08   0.01    -0.05  -0.03   0.07
    22   1     0.04  -0.20   0.12     0.00  -0.02   0.02    -0.05   0.25  -0.13
    23   1    -0.02   0.00   0.02    -0.01   0.04  -0.00     0.02   0.02  -0.02
    24   1     0.02  -0.16   0.11    -0.00  -0.04   0.04    -0.01   0.13  -0.09
    25   1     0.11   0.01   0.04     0.18   0.03   0.03    -0.03   0.02  -0.02
    26   1    -0.13   0.04   0.08     0.06   0.04   0.06     0.24  -0.02  -0.06
    27   1    -0.24   0.05   0.08    -0.14   0.05   0.07     0.14   0.00  -0.06
    28   1    -0.02  -0.05  -0.10    -0.20   0.26   0.14    -0.12   0.00  -0.13
    29   6     0.02   0.04  -0.01    -0.08  -0.06  -0.02     0.01   0.08   0.01
    30   1    -0.07  -0.07  -0.14     0.15  -0.01  -0.14    -0.07  -0.11  -0.24
    31   1     0.05   0.05   0.15    -0.13  -0.25  -0.29     0.03  -0.10   0.10
    32   1     0.03   0.07   0.16     0.08  -0.02  -0.11     0.22   0.21   0.31
    33   1    -0.12  -0.15  -0.07     0.15   0.11   0.05    -0.06  -0.21  -0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.4059               858.9698               873.5504
 Red. masses --      1.3155                 3.2405                 1.8246
 Frc consts  --      0.5645                 1.4087                 0.8203
 IR Inten    --      1.0266                 4.0737                18.3742
 RamAct Fr= 1--      1.2579                14.1315                 5.7678
  Dep-P Fr= 1--      0.5469                 0.1652                 0.0539
  Dep-U Fr= 1--      0.7071                 0.2835                 0.1023
 Alpha2 Fr= 1--      0.0049                 0.2102                 0.1129
 Beta2  Fr= 1--      0.1482                 0.6677                 0.0984
 AlphaG Fr= 1--     -0.0042                -0.0611                 0.0762
 Gamma2 Fr= 1--     -0.4502                -0.0302                -1.5913
 Delta2 Fr= 1--     -0.4822                -0.7495                -0.7186
 Raman1 Fr= 1--       5.032                 56.526                 23.071
 ROA1   Fr= 1--     -58.646                -26.885               -175.761
 CID1   Fr= 1--     -11.656                 -0.476                 -7.618
 Raman2 Fr= 1--       1.779                  8.012                  1.181
 ROA2   Fr= 1--      -6.947                  5.271                -32.443
 CID2   Fr= 1--      -3.905                  0.658                -27.479
 Raman3 Fr= 1--       3.558                 16.024                  2.361
 ROA3   Fr= 1--     -58.646                -26.885               -175.761
 CID3   Fr= 1--     -16.485                 -1.678                -74.434
 RC180  Fr= 1--       0.414                 -0.433                 -0.795
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.03    -0.02  -0.06   0.14    -0.01  -0.08  -0.03
     2   6     0.01   0.02   0.01     0.02  -0.04  -0.02     0.02   0.11   0.04
     3   6     0.00   0.06   0.02     0.04  -0.07   0.15    -0.02  -0.07  -0.04
     4   6     0.00   0.02   0.01    -0.03   0.00   0.01     0.02   0.10   0.03
     5   6    -0.01  -0.07  -0.03     0.02   0.08  -0.14    -0.03  -0.05  -0.00
     6   6    -0.02  -0.07  -0.04    -0.05   0.08  -0.15    -0.02  -0.05  -0.00
     7   6     0.01  -0.02   0.01    -0.12   0.01   0.06     0.04  -0.04  -0.05
     8   6    -0.00  -0.01   0.00    -0.02  -0.03   0.01    -0.01  -0.03   0.03
     9   6    -0.01   0.01  -0.00    -0.02   0.03  -0.01    -0.03   0.05  -0.01
    10   6     0.00  -0.00   0.00     0.04  -0.02  -0.01     0.03  -0.01   0.02
    11   6     0.03  -0.03   0.03     0.15  -0.11   0.00     0.03  -0.02   0.05
    12   6     0.01   0.02  -0.02    -0.08   0.04  -0.02     0.05   0.02  -0.03
    13   8    -0.01   0.01  -0.02    -0.01   0.02  -0.08    -0.02   0.00  -0.01
    14   8    -0.00   0.01   0.02     0.02   0.05   0.06    -0.01   0.01   0.02
    15   1    -0.05  -0.42  -0.15    -0.13   0.12   0.15     0.06   0.50   0.18
    16   1    -0.04  -0.40  -0.14     0.15   0.00   0.11     0.04   0.48   0.16
    17   1     0.05   0.50   0.17     0.13  -0.18  -0.18    -0.03   0.27   0.10
    18   1     0.03   0.49   0.17    -0.16  -0.06  -0.13    -0.01   0.23   0.11
    19   1    -0.01   0.03   0.00    -0.19   0.12   0.05     0.05  -0.14  -0.05
    20   1     0.01  -0.03  -0.04    -0.12  -0.04  -0.07    -0.09  -0.06   0.02
    21   1     0.01   0.01   0.00     0.07   0.05   0.03    -0.13  -0.10  -0.00
    22   1    -0.00   0.03  -0.01    -0.01   0.07  -0.02    -0.02   0.12  -0.06
    23   1    -0.00   0.02  -0.00     0.00   0.05  -0.01     0.02  -0.01  -0.01
    24   1     0.01  -0.01   0.01     0.01  -0.00   0.01     0.00   0.06  -0.05
    25   1    -0.01  -0.00  -0.00     0.13   0.03   0.02    -0.15   0.00  -0.03
    26   1     0.00  -0.00  -0.00     0.12   0.02   0.03     0.10  -0.03  -0.07
    27   1     0.00  -0.00  -0.00    -0.08   0.04   0.04     0.14  -0.01  -0.08
    28   1     0.04  -0.02   0.03     0.22  -0.17  -0.00     0.04   0.05   0.06
    29   6     0.00  -0.03  -0.00     0.06  -0.04   0.00    -0.02  -0.06  -0.02
    30   1     0.01   0.03   0.06     0.03   0.10   0.21     0.03   0.03   0.05
    31   1     0.00   0.06  -0.01     0.10   0.32   0.19    -0.03   0.04  -0.05
    32   1    -0.08  -0.07  -0.09    -0.28  -0.20  -0.19    -0.13  -0.13  -0.17
    33   1    -0.01   0.05   0.01    -0.10   0.09   0.01     0.01   0.08   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.1329               936.3125               954.7455
 Red. masses --      1.5045                 1.1988                 1.6012
 Frc consts  --      0.7135                 0.6192                 0.8600
 IR Inten    --      1.7278                 1.8709                 0.4041
 RamAct Fr= 1--      2.1854                 1.3116                 4.5609
  Dep-P Fr= 1--      0.7362                 0.5107                 0.7292
  Dep-U Fr= 1--      0.8481                 0.6762                 0.8434
 Alpha2 Fr= 1--      0.0005                 0.0062                 0.0016
 Beta2  Fr= 1--      0.3089                 0.1478                 0.6411
 AlphaG Fr= 1--     -0.0026                -0.0217                -0.0238
 Gamma2 Fr= 1--      0.5586                 0.3160                 1.0858
 Delta2 Fr= 1--      0.2425                 0.7693                -0.3573
 Raman1 Fr= 1--       8.742                  5.246                 18.244
 ROA1   Fr= 1--      61.388                 54.957                 92.806
 CID1   Fr= 1--       7.023                 10.475                  5.087
 Raman2 Fr= 1--       3.707                  1.774                  7.694
 ROA2   Fr= 1--      11.467                  1.430                 28.919
 CID2   Fr= 1--       3.094                  0.806                  3.759
 Raman3 Fr= 1--       7.414                  3.547                 15.387
 ROA3   Fr= 1--      61.388                 54.957                 92.806
 CID3   Fr= 1--       8.280                 15.492                  6.031
 RC180  Fr= 1--       0.696                  0.352                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.05    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     2   6     0.02   0.04   0.02     0.01   0.01   0.00    -0.01  -0.00   0.00
     3   6    -0.04  -0.00  -0.03    -0.01  -0.00  -0.01     0.01  -0.02   0.01
     4   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00   0.02   0.01
     5   6     0.01  -0.00   0.01    -0.00  -0.00   0.01     0.00  -0.09  -0.05
     6   6     0.00  -0.00  -0.02    -0.00  -0.00   0.00     0.01   0.09   0.01
     7   6     0.07  -0.07   0.14     0.02   0.00   0.01    -0.05  -0.09  -0.01
     8   6     0.00  -0.04  -0.02    -0.05   0.00  -0.01     0.07   0.07   0.01
     9   6    -0.02   0.01  -0.06    -0.07  -0.00   0.05     0.05  -0.02   0.03
    10   6    -0.03  -0.01  -0.02     0.04   0.03  -0.07    -0.06   0.07  -0.00
    11   6     0.00   0.01  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.02   0.08  -0.02    -0.00   0.00  -0.01    -0.00  -0.01  -0.00
    16   1    -0.08   0.13   0.06    -0.02   0.03   0.01     0.02   0.08   0.04
    17   1     0.03   0.01   0.03    -0.01   0.02   0.01     0.09   0.53   0.17
    18   1     0.02  -0.01  -0.03    -0.00  -0.01   0.00    -0.05  -0.50  -0.21
    19   1    -0.09   0.49   0.11     0.03   0.02   0.01    -0.16  -0.00  -0.04
    20   1     0.18  -0.25  -0.42     0.05   0.02   0.01    -0.02  -0.12  -0.12
    21   1     0.14   0.26   0.03     0.25  -0.23   0.06     0.13   0.07   0.02
    22   1     0.01   0.13   0.10    -0.04   0.40  -0.28     0.02  -0.20   0.05
    23   1    -0.03   0.35  -0.03     0.25  -0.36   0.09    -0.03  -0.08   0.01
    24   1     0.08  -0.23   0.21     0.17  -0.06  -0.11    -0.07   0.11  -0.05
    25   1     0.11   0.01   0.02     0.44  -0.14   0.05    -0.00  -0.09   0.01
    26   1    -0.04   0.01   0.04    -0.31   0.01   0.17    -0.36  -0.01   0.04
    27   1    -0.14   0.01   0.07    -0.01  -0.09   0.16     0.13  -0.09   0.04
    28   1    -0.02  -0.00  -0.01    -0.00   0.00   0.00     0.01   0.01   0.01
    29   6    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    30   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.02    -0.00   0.00   0.00    -0.01   0.01  -0.00
    32   1    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.02  -0.02  -0.02
    33   1    -0.02  -0.02  -0.01    -0.00  -0.00  -0.00    -0.01   0.00  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    960.5993               972.2271               978.7170
 Red. masses --      1.6232                 1.4822                 1.3906
 Frc consts  --      0.8825                 0.8255                 0.7848
 IR Inten    --      0.1155                 0.0359                 0.0540
 RamAct Fr= 1--      2.6916                 2.5587                 0.7006
  Dep-P Fr= 1--      0.7018                 0.6022                 0.7105
  Dep-U Fr= 1--      0.8248                 0.7517                 0.8307
 Alpha2 Fr= 1--      0.0023                 0.0070                 0.0005
 Beta2  Fr= 1--      0.3700                 0.3206                 0.0970
 AlphaG Fr= 1--      0.0087                -0.0178                -0.0084
 Gamma2 Fr= 1--      1.1060                 0.7630                -0.8582
 Delta2 Fr= 1--      0.2546                 0.0030                 0.5787
 Raman1 Fr= 1--      10.766                 10.235                  2.803
 ROA1   Fr= 1--     114.328                 73.340                -63.864
 CID1   Fr= 1--      10.619                  7.166                -22.788
 Raman2 Fr= 1--       4.440                  3.847                  1.164
 ROA2   Fr= 1--      24.508                 18.288                -25.226
 CID2   Fr= 1--       5.520                  4.754                -21.670
 Raman3 Fr= 1--       8.880                  7.694                  2.328
 ROA3   Fr= 1--     114.328                 73.340                -63.864
 CID3   Fr= 1--      12.875                  9.532                -27.431
 RC180  Fr= 1--       0.650                  0.503                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02   0.01     0.00  -0.01   0.00     0.01   0.11   0.05
     2   6    -0.01   0.03   0.02    -0.01  -0.00  -0.00    -0.00  -0.03  -0.01
     3   6     0.01  -0.04  -0.00     0.01   0.01   0.01    -0.01  -0.11  -0.04
     4   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.01   0.02   0.01
     5   6     0.02   0.08   0.01     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     6   6    -0.01  -0.09  -0.05     0.00   0.01   0.00    -0.00   0.01  -0.00
     7   6    -0.04  -0.10  -0.02    -0.02   0.02  -0.01    -0.00   0.03   0.00
     8   6     0.07   0.07   0.01    -0.07   0.06  -0.02    -0.03  -0.00  -0.01
     9   6     0.04  -0.02   0.03    -0.03  -0.12  -0.02    -0.01  -0.02  -0.01
    10   6    -0.05   0.08   0.00     0.10   0.07   0.04     0.03  -0.01   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.02   0.01
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.01  -0.10  -0.04     0.01   0.07   0.03    -0.07  -0.63  -0.22
    16   1     0.03   0.18   0.08     0.01  -0.10  -0.03     0.06   0.64   0.24
    17   1    -0.01  -0.45  -0.16     0.01   0.02  -0.00     0.00   0.04   0.02
    18   1     0.06   0.51   0.16     0.00  -0.03  -0.01    -0.01  -0.06  -0.02
    19   1    -0.17  -0.03  -0.05    -0.03  -0.01  -0.01     0.04   0.01   0.01
    20   1    -0.06  -0.16  -0.14    -0.03   0.02   0.02     0.03   0.07   0.06
    21   1     0.12   0.07   0.02    -0.26   0.19  -0.06    -0.07   0.02  -0.02
    22   1     0.02  -0.16   0.03     0.03   0.20   0.08     0.00   0.03   0.01
    23   1    -0.01  -0.09   0.01     0.08   0.16   0.03     0.00   0.03   0.00
    24   1    -0.05   0.09  -0.05     0.21  -0.45   0.26     0.03  -0.07   0.05
    25   1    -0.04  -0.11   0.01    -0.15  -0.12  -0.05    -0.00   0.02  -0.01
    26   1    -0.40  -0.03   0.02    -0.17  -0.09  -0.12     0.09  -0.00  -0.02
    27   1     0.20  -0.11   0.02     0.56  -0.15  -0.10     0.01   0.01  -0.02
    28   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.04   0.06   0.02
    29   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.01
    31   1     0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.01  -0.03
    32   1     0.01   0.01   0.01     0.00   0.00   0.00    -0.02  -0.03  -0.04
    33   1     0.00  -0.01  -0.00     0.00   0.00   0.00     0.01   0.02   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7872              1046.1459              1083.9346
 Red. masses --      1.9231                 2.8143                 2.1146
 Frc consts  --      1.1668                 1.8147                 1.4638
 IR Inten    --      2.6983                 3.9924                58.6672
 RamAct Fr= 1--      9.5222                 0.0663                 1.7812
  Dep-P Fr= 1--      0.2584                 0.6250                 0.6163
  Dep-U Fr= 1--      0.4107                 0.7692                 0.7626
 Alpha2 Fr= 1--      0.1102                 0.0002                 0.0044
 Beta2  Fr= 1--      0.6519                 0.0085                 0.2264
 AlphaG Fr= 1--      0.0258                 0.0004                 0.0097
 Gamma2 Fr= 1--     -0.2833                -0.0048                -0.2793
 Delta2 Fr= 1--     -1.5430                 0.1269                 0.9448
 Raman1 Fr= 1--      38.089                  0.265                  7.125
 ROA1   Fr= 1--     -76.572                  3.600                  3.418
 CID1   Fr= 1--      -2.010                 13.585                  0.480
 Raman2 Fr= 1--       7.822                  0.102                  2.717
 ROA2   Fr= 1--       5.545                 -1.130                -14.263
 CID2   Fr= 1--       0.709                -11.082                 -5.250
 Raman3 Fr= 1--      15.645                  0.204                  5.433
 ROA3   Fr= 1--     -76.572                  3.600                  3.418
 CID3   Fr= 1--      -4.894                 17.660                  0.629
 RC180  Fr= 1--      -0.179                  0.538                  0.525
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03   0.06     0.00   0.07  -0.19     0.01   0.01  -0.03
     2   6    -0.00   0.01  -0.02    -0.03   0.01  -0.00     0.00  -0.01   0.04
     3   6     0.00   0.01   0.04     0.05  -0.07   0.19    -0.02   0.01   0.00
     4   6     0.07  -0.02  -0.04    -0.04   0.00  -0.00     0.05  -0.03   0.02
     5   6     0.00   0.00   0.02     0.01   0.06  -0.18     0.02   0.02  -0.05
     6   6    -0.03   0.01  -0.03     0.05  -0.07   0.19    -0.05   0.01  -0.03
     7   6     0.01  -0.00   0.00     0.01  -0.00  -0.00     0.01   0.00   0.03
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.02   0.00  -0.04
     9   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01   0.00   0.03
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.02
    11   6     0.10   0.16  -0.02     0.01   0.02  -0.02     0.09   0.04   0.17
    12   6    -0.07  -0.02   0.04    -0.00   0.00   0.01    -0.01   0.08   0.04
    13   8     0.03  -0.01   0.02     0.00  -0.00   0.01    -0.00   0.01   0.00
    14   8     0.01  -0.02  -0.02     0.00  -0.00  -0.00    -0.01  -0.05  -0.09
    15   1    -0.11   0.06   0.06    -0.32   0.14  -0.31     0.06   0.01  -0.01
    16   1    -0.03  -0.15   0.01    -0.20  -0.11   0.36    -0.18  -0.04   0.11
    17   1    -0.02  -0.06  -0.01    -0.31   0.13  -0.30     0.08  -0.02  -0.04
    18   1    -0.00   0.03  -0.05    -0.20  -0.11   0.38    -0.19  -0.00   0.07
    19   1     0.04   0.02   0.01     0.09   0.03   0.01    -0.20  -0.02  -0.02
    20   1    -0.02  -0.02  -0.01     0.01  -0.01  -0.00     0.22   0.07   0.00
    21   1     0.03   0.02   0.01     0.02   0.02   0.01    -0.12  -0.11  -0.07
    22   1     0.00   0.01   0.01    -0.00   0.01   0.00    -0.01  -0.03  -0.04
    23   1    -0.00   0.02  -0.00    -0.00   0.02  -0.00     0.01  -0.11   0.02
    24   1     0.00  -0.01   0.01     0.01  -0.01   0.01    -0.01   0.07  -0.06
    25   1     0.02  -0.00   0.00     0.02   0.00   0.00    -0.07   0.01  -0.01
    26   1    -0.01   0.00   0.01    -0.00   0.00   0.01     0.06  -0.01  -0.04
    27   1    -0.02  -0.00   0.01    -0.02   0.00   0.01     0.04   0.01  -0.04
    28   1     0.44   0.45   0.11     0.10   0.07   0.01     0.06  -0.31   0.09
    29   6    -0.12  -0.09  -0.02    -0.00  -0.02   0.01    -0.06   0.01  -0.12
    30   1    -0.01  -0.04  -0.06    -0.00  -0.00  -0.01     0.08   0.07   0.27
    31   1    -0.19  -0.27  -0.44    -0.01   0.03  -0.04    -0.04  -0.25   0.07
    32   1     0.06  -0.06  -0.23    -0.03  -0.04  -0.07     0.12   0.14   0.28
    33   1     0.22   0.17   0.08     0.02   0.06   0.03    -0.17  -0.43  -0.23
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.1377              1107.2655              1138.5819
 Red. masses --      1.5649                 1.8178                 2.1576
 Frc consts  --      1.1098                 1.3131                 1.6480
 IR Inten    --     13.4805                32.1633                 6.8396
 RamAct Fr= 1--      2.7563                 6.1430                20.1438
  Dep-P Fr= 1--      0.5144                 0.1493                 0.3566
  Dep-U Fr= 1--      0.6794                 0.2598                 0.5257
 Alpha2 Fr= 1--      0.0127                 0.0951                 0.1731
 Beta2  Fr= 1--      0.3121                 0.2660                 1.7651
 AlphaG Fr= 1--     -0.0026                 0.0351                 0.0984
 Gamma2 Fr= 1--      1.9704                -1.2863                -1.4609
 Delta2 Fr= 1--      1.8795                -0.8382                -0.4604
 Raman1 Fr= 1--      11.025                 24.572                 80.575
 ROA1   Fr= 1--     249.303               -150.304               -154.978
 CID1   Fr= 1--      22.612                 -6.117                 -1.923
 Raman2 Fr= 1--       3.745                  3.192                 21.181
 ROA2   Fr= 1--      32.253                -24.165                -31.379
 CID2   Fr= 1--       8.612                 -7.571                 -1.481
 Raman3 Fr= 1--       7.490                  6.384                 42.362
 ROA3   Fr= 1--     249.303               -150.304               -154.978
 CID3   Fr= 1--      33.284                -23.545                 -3.658
 RC180  Fr= 1--       0.359                 -0.480                  0.051
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.05    -0.01   0.01  -0.03     0.02   0.02  -0.01
     2   6     0.01  -0.01   0.04     0.01  -0.00   0.05    -0.02  -0.06   0.00
     3   6    -0.03   0.02  -0.03    -0.02  -0.01   0.01    -0.02   0.00  -0.00
     4   6    -0.04  -0.05   0.03     0.05   0.03   0.02     0.02  -0.01   0.02
     5   6     0.02   0.01  -0.01     0.03  -0.00  -0.02     0.03   0.01  -0.03
     6   6     0.00   0.01  -0.02    -0.02   0.01  -0.04    -0.03   0.02  -0.01
     7   6     0.00  -0.01   0.05     0.02  -0.02   0.07     0.02   0.10   0.04
     8   6    -0.03   0.01  -0.05    -0.04   0.02  -0.08     0.17  -0.15  -0.03
     9   6     0.01  -0.00   0.04     0.02  -0.00   0.05    -0.07   0.05  -0.06
    10   6     0.02  -0.01   0.02     0.02  -0.01   0.02    -0.08   0.07   0.08
    11   6    -0.02   0.11  -0.00    -0.01  -0.09  -0.10    -0.00   0.00  -0.01
    12   6    -0.02  -0.01   0.02     0.00  -0.06  -0.04    -0.01  -0.03  -0.01
    13   8     0.02  -0.02   0.03    -0.01   0.01  -0.03    -0.00   0.00  -0.01
    14   8     0.01  -0.01  -0.00     0.01   0.04   0.07     0.01   0.01   0.02
    15   1     0.12   0.00  -0.01    -0.03   0.03  -0.03     0.17  -0.09   0.03
    16   1    -0.10  -0.04  -0.00    -0.18   0.00   0.14    -0.15  -0.02   0.09
    17   1     0.16  -0.07   0.03     0.14   0.02   0.03     0.17  -0.03   0.02
    18   1    -0.04   0.00   0.01    -0.08   0.02   0.00    -0.17  -0.06   0.07
    19   1    -0.28  -0.01  -0.02    -0.38   0.01  -0.02    -0.08  -0.10   0.01
    20   1     0.27   0.08  -0.01     0.40   0.10  -0.03    -0.22  -0.01   0.02
    21   1    -0.15  -0.11  -0.08    -0.20  -0.15  -0.12     0.22  -0.44  -0.03
    22   1    -0.00  -0.06  -0.05    -0.01  -0.08  -0.07    -0.03   0.29  -0.09
    23   1     0.01  -0.15   0.02     0.01  -0.22   0.03     0.07   0.15  -0.02
    24   1    -0.02   0.09  -0.08    -0.03   0.13  -0.11     0.11  -0.10   0.00
    25   1    -0.07   0.01  -0.01    -0.10   0.02  -0.02    -0.40  -0.08  -0.02
    26   1     0.08  -0.02  -0.05     0.11  -0.02  -0.06    -0.23  -0.07  -0.11
    27   1     0.05   0.01  -0.05     0.06   0.02  -0.06     0.21  -0.04  -0.07
    28   1    -0.21   0.38   0.02     0.10  -0.04  -0.07    -0.06   0.07  -0.00
    29   6     0.07  -0.09  -0.03    -0.05   0.06   0.08    -0.00   0.00   0.00
    30   1    -0.03  -0.04  -0.09    -0.03  -0.03  -0.14    -0.02  -0.02  -0.08
    31   1     0.11   0.35   0.17    -0.10  -0.21  -0.22    -0.00  -0.01  -0.01
    32   1    -0.32  -0.26  -0.23     0.24   0.16   0.04     0.01   0.01   0.00
    33   1    -0.19   0.10  -0.02     0.26   0.12   0.13     0.00   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.1833              1161.5240              1193.9285
 Red. masses --      1.5742                 2.0478                 1.7717
 Frc consts  --      1.2227                 1.6278                 1.4880
 IR Inten    --     39.8987               146.6821                10.4164
 RamAct Fr= 1--      2.2842                 0.8874                 3.1338
  Dep-P Fr= 1--      0.4790                 0.6845                 0.5856
  Dep-U Fr= 1--      0.6477                 0.8127                 0.7386
 Alpha2 Fr= 1--      0.0124                 0.0010                 0.0096
 Beta2  Fr= 1--      0.2466                 0.1202                 0.3858
 AlphaG Fr= 1--     -0.0108                 0.0071                 0.0015
 Gamma2 Fr= 1--     -0.5115                -1.0462                -1.9829
 Delta2 Fr= 1--     -1.0909                -0.4132                 0.3613
 Raman1 Fr= 1--       9.137                  3.550                 12.535
 ROA1   Fr= 1--     -84.010               -113.656               -178.799
 CID1   Fr= 1--      -9.195                -32.019                -14.264
 Raman2 Fr= 1--       2.959                  1.442                  4.630
 ROA2   Fr= 1--      -3.548                -21.803                -50.481
 CID2   Fr= 1--      -1.199                -15.116                -10.904
 Raman3 Fr= 1--       5.918                  2.885                  9.259
 ROA3   Fr= 1--     -84.010               -113.656               -178.799
 CID3   Fr= 1--     -14.196                -39.400                -19.311
 RC180  Fr= 1--       0.295                  0.625                  0.477
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.01    -0.05  -0.00   0.02     0.00   0.00  -0.01
     2   6    -0.01  -0.01  -0.01    -0.01   0.00  -0.00     0.01  -0.00   0.01
     3   6     0.05  -0.01   0.01     0.06  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.04   0.02  -0.03     0.05  -0.02  -0.00    -0.00  -0.00   0.00
     5   6    -0.06  -0.01   0.03    -0.04   0.01  -0.01    -0.00   0.00  -0.00
     6   6     0.08  -0.01   0.00     0.03   0.00  -0.01     0.00   0.00  -0.00
     7   6     0.01   0.02   0.07     0.01  -0.00   0.02    -0.02  -0.04  -0.05
     8   6     0.03  -0.04  -0.06     0.00  -0.00  -0.02     0.12   0.14  -0.02
     9   6    -0.01   0.02   0.02    -0.00   0.00   0.01    -0.10  -0.06   0.04
    10   6    -0.01   0.02   0.04    -0.00   0.00   0.01    -0.05  -0.10   0.05
    11   6    -0.01  -0.01  -0.02     0.03   0.03   0.12     0.00  -0.00  -0.00
    12   6     0.01   0.07   0.04    -0.01  -0.14  -0.09     0.00   0.00   0.00
    13   8     0.01  -0.01   0.02    -0.02   0.03  -0.05     0.00  -0.00   0.00
    14   8    -0.01  -0.03  -0.07     0.03   0.04   0.12    -0.00  -0.00  -0.00
    15   1    -0.36   0.06  -0.11    -0.31   0.05  -0.07    -0.01   0.02  -0.01
    16   1     0.31   0.04  -0.16     0.24   0.01  -0.13    -0.02  -0.00   0.01
    17   1    -0.30   0.05  -0.05    -0.36   0.06  -0.14    -0.01   0.00  -0.00
    18   1     0.44   0.04  -0.26     0.19   0.02  -0.12     0.02   0.00  -0.02
    19   1    -0.22   0.02   0.02    -0.05   0.01   0.00    -0.20  -0.16  -0.09
    20   1     0.14   0.02  -0.04     0.05   0.00  -0.01     0.04   0.01  -0.01
    21   1    -0.03  -0.20  -0.08    -0.01  -0.03  -0.02     0.28   0.33   0.03
    22   1    -0.02   0.04  -0.08    -0.00   0.01  -0.02    -0.04   0.33  -0.11
    23   1     0.03  -0.09   0.01     0.01  -0.03   0.01     0.26  -0.15   0.11
    24   1     0.02   0.05  -0.07     0.00   0.01  -0.02     0.23  -0.25   0.02
    25   1    -0.19  -0.02  -0.02    -0.04   0.00  -0.00    -0.23   0.22   0.00
    26   1    -0.02  -0.04  -0.08     0.01  -0.01  -0.02     0.34   0.01  -0.03
    27   1     0.12  -0.01  -0.06     0.02   0.00  -0.02    -0.26   0.16  -0.09
    28   1     0.13  -0.16  -0.03    -0.22   0.25   0.12     0.00  -0.01  -0.00
    29   6     0.01  -0.01   0.02    -0.01   0.02  -0.09    -0.00  -0.00   0.00
    30   1     0.05   0.07   0.23    -0.08  -0.14  -0.44     0.00   0.00   0.01
    31   1     0.00   0.04  -0.01     0.02  -0.07   0.14    -0.00   0.00  -0.00
    32   1    -0.03  -0.04  -0.05     0.01   0.07   0.17    -0.00  -0.00  -0.00
    33   1     0.03   0.07   0.04    -0.16  -0.25  -0.17     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1211.8261              1221.8768              1236.3067
 Red. masses --      1.2711                 2.1347                 2.3457
 Frc consts  --      1.0998                 1.8778                 2.1124
 IR Inten    --      3.7377                 8.9347                 2.3819
 RamAct Fr= 1--     41.0501                34.6967                31.4933
  Dep-P Fr= 1--      0.0919                 0.1493                 0.1146
  Dep-U Fr= 1--      0.1683                 0.2598                 0.2056
 Alpha2 Fr= 1--      0.7331                 0.5373                 0.5320
 Beta2  Fr= 1--      1.1517                 1.5023                 1.0793
 AlphaG Fr= 1--     -0.1656                 0.0030                 0.0338
 Gamma2 Fr= 1--     -2.4024                 1.0778                 1.3392
 Delta2 Fr= 1--      0.0962                -0.2150                 0.0486
 Raman1 Fr= 1--     164.200                138.787                125.973
 ROA1   Fr= 1--    -227.552                 96.591                130.120
 CID1   Fr= 1--      -1.386                  0.696                  1.033
 Raman2 Fr= 1--      13.820                 18.027                 12.952
 ROA2   Fr= 1--     -58.428                 27.588                 31.753
 CID2   Fr= 1--      -4.228                  1.530                  2.452
 Raman3 Fr= 1--      27.640                 36.055                 25.904
 ROA3   Fr= 1--    -227.552                 96.591                130.120
 CID3   Fr= 1--      -8.233                  2.679                  5.023
 RC180  Fr= 1--      -0.663                 -0.480                 -0.589
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.04    -0.10  -0.00   0.04     0.03   0.00  -0.01
     2   6     0.04  -0.00  -0.01    -0.04   0.00   0.02     0.28  -0.04  -0.02
     3   6     0.01   0.01  -0.03     0.09   0.00  -0.03    -0.07   0.03  -0.05
     4   6    -0.10   0.01   0.00     0.22  -0.02   0.00     0.04  -0.01   0.01
     5   6     0.02  -0.02   0.04     0.06   0.00  -0.03    -0.07  -0.01   0.05
     6   6    -0.00  -0.02   0.05    -0.08   0.02  -0.03     0.05   0.01  -0.03
     7   6    -0.02   0.00   0.01     0.02  -0.00  -0.01    -0.10   0.03   0.01
     8   6     0.00  -0.00  -0.00     0.00   0.00   0.02    -0.00  -0.00   0.06
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.00  -0.03
    10   6     0.00   0.00   0.00    -0.00  -0.00  -0.01     0.01   0.01  -0.02
    11   6     0.04   0.00   0.01    -0.10  -0.01  -0.02     0.01  -0.01  -0.01
    12   6    -0.00  -0.01  -0.01    -0.00   0.03   0.02    -0.00   0.00   0.00
    13   8    -0.00   0.01  -0.01     0.01  -0.02   0.03     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.01  -0.04    -0.00   0.00  -0.01
    15   1    -0.38   0.10  -0.18    -0.49   0.09  -0.10    -0.30   0.08  -0.15
    16   1     0.38   0.07  -0.30     0.21   0.02  -0.11    -0.31  -0.01   0.11
    17   1     0.50  -0.13   0.23     0.03   0.01  -0.05    -0.41   0.06  -0.07
    18   1    -0.30  -0.06   0.26    -0.42  -0.03   0.20    -0.16  -0.03   0.14
    19   1    -0.07  -0.00  -0.00     0.02  -0.01  -0.01    -0.50  -0.19  -0.08
    20   1    -0.04  -0.00   0.00     0.08   0.03   0.03    -0.24  -0.02   0.03
    21   1    -0.00  -0.01  -0.00     0.01  -0.02   0.02    -0.05  -0.08   0.05
    22   1    -0.00   0.00  -0.00     0.00   0.01   0.02     0.01  -0.01   0.07
    23   1     0.00   0.00   0.00    -0.00   0.04  -0.01    -0.03   0.11  -0.03
    24   1     0.00  -0.00   0.00     0.00  -0.03   0.02    -0.02  -0.04   0.06
    25   1    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.08  -0.03   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.01   0.02    -0.06   0.02   0.05
    27   1     0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.01  -0.02   0.05
    28   1     0.22  -0.02   0.03    -0.52   0.04  -0.09    -0.13   0.02  -0.03
    29   6    -0.01   0.00  -0.02     0.02  -0.01   0.04    -0.01   0.00   0.01
    30   1    -0.01  -0.02  -0.06     0.03   0.06   0.19     0.01   0.02   0.07
    31   1    -0.00  -0.02   0.02     0.01   0.05  -0.03    -0.01  -0.02  -0.04
    32   1     0.03   0.03   0.03    -0.07  -0.06  -0.07     0.01  -0.00  -0.03
    33   1     0.01  -0.03  -0.02    -0.01   0.10   0.06     0.02   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1248.7401              1280.4584              1309.5396
 Red. masses --      1.6066                 1.7882                 1.6120
 Frc consts  --      1.4761                 1.7274                 1.6288
 IR Inten    --      1.3063                 2.5781                 3.7615
 RamAct Fr= 1--      6.3332                 3.8630                 3.4018
  Dep-P Fr= 1--      0.5205                 0.6352                 0.6379
  Dep-U Fr= 1--      0.6847                 0.7769                 0.7789
 Alpha2 Fr= 1--      0.0283                 0.0080                 0.0069
 Beta2  Fr= 1--      0.7227                 0.5002                 0.4416
 AlphaG Fr= 1--     -0.0360                -0.0027                -0.0218
 Gamma2 Fr= 1--     -2.6917                 0.1893                -1.7217
 Delta2 Fr= 1--      0.0881                -0.7271                 1.0848
 Raman1 Fr= 1--      25.333                 15.452                 13.607
 ROA1   Fr= 1--    -255.584                 -5.098               -130.576
 CID1   Fr= 1--     -10.089                 -0.330                 -9.596
 Raman2 Fr= 1--       8.672                  6.003                  5.299
 ROA2   Fr= 1--     -65.305                 10.359                -50.000
 CID2   Fr= 1--      -7.530                  1.726                 -9.435
 Raman3 Fr= 1--      17.344                 12.005                 10.599
 ROA3   Fr= 1--    -255.584                 -5.098               -130.576
 CID3   Fr= 1--     -14.736                 -0.425                -12.320
 RC180  Fr= 1--       0.369                  0.554                  0.558
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.04     0.02  -0.01   0.04     0.03  -0.01   0.02
     2   6    -0.06  -0.01   0.08     0.01   0.01  -0.03     0.00   0.01  -0.03
     3   6     0.03  -0.00  -0.01    -0.01  -0.01   0.03    -0.02  -0.01   0.03
     4   6    -0.04  -0.01   0.04     0.07   0.03  -0.12     0.01   0.03  -0.09
     5   6    -0.01   0.01  -0.03     0.04  -0.02   0.04     0.03  -0.01   0.03
     6   6     0.01   0.00  -0.03    -0.04  -0.00   0.01    -0.03  -0.01   0.02
     7   6     0.01  -0.00  -0.06    -0.00  -0.00   0.00    -0.01  -0.01   0.00
     8   6     0.02   0.00   0.14     0.00   0.00   0.02    -0.00   0.00   0.00
     9   6    -0.00  -0.02  -0.09     0.00  -0.00  -0.01     0.00  -0.00  -0.01
    10   6    -0.01  -0.00  -0.05    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    11   6     0.02  -0.00  -0.01    -0.15   0.05   0.04    -0.07  -0.07   0.00
    12   6    -0.01  -0.00   0.00     0.04   0.06   0.02     0.01  -0.10  -0.06
    13   8     0.00   0.00   0.00    -0.02   0.00  -0.05     0.02   0.00   0.05
    14   8     0.00   0.00   0.00     0.01  -0.03   0.03    -0.02   0.05  -0.03
    15   1     0.01   0.02  -0.02    -0.21   0.04  -0.04    -0.12   0.03  -0.03
    16   1     0.05   0.01  -0.02    -0.23  -0.05   0.19    -0.12  -0.02   0.10
    17   1     0.12  -0.01   0.02     0.10  -0.04   0.06     0.10  -0.02   0.06
    18   1     0.20   0.05  -0.15     0.04   0.02  -0.05     0.08   0.01  -0.05
    19   1    -0.32  -0.29  -0.14    -0.13  -0.05  -0.03    -0.04   0.00  -0.01
    20   1     0.47   0.28   0.17     0.10   0.05   0.02     0.10   0.05   0.02
    21   1     0.09  -0.23   0.16     0.02  -0.06   0.02     0.07  -0.05   0.02
    22   1     0.03   0.06   0.16     0.01   0.01   0.02     0.00   0.00   0.01
    23   1    -0.05   0.31  -0.07    -0.01   0.04  -0.01    -0.01   0.02  -0.01
    24   1    -0.03  -0.15   0.15    -0.01  -0.02   0.02    -0.01  -0.01   0.01
    25   1     0.14  -0.02   0.01     0.01  -0.00   0.00    -0.01  -0.00   0.00
    26   1    -0.05   0.05   0.11    -0.00   0.01   0.01     0.01  -0.00  -0.00
    27   1    -0.08  -0.04   0.10    -0.01  -0.01   0.01     0.01  -0.00  -0.00
    28   1     0.03   0.01  -0.00     0.53  -0.38   0.07     0.28   0.51   0.20
    29   6    -0.01   0.00   0.00     0.05  -0.02  -0.01     0.03   0.03  -0.05
    30   1     0.00   0.00   0.00    -0.09  -0.17  -0.43     0.09   0.23   0.58
    31   1    -0.01  -0.02  -0.02     0.06   0.12   0.07     0.07   0.02   0.16
    32   1     0.03   0.01  -0.00    -0.14  -0.08   0.01    -0.02   0.05   0.15
    33   1     0.02   0.00   0.01    -0.15   0.02  -0.04    -0.09  -0.09  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1318.8183              1349.4374              1363.4578
 Red. masses --      1.3454                 2.1942                 1.5518
 Frc consts  --      1.3787                 2.3542                 1.6997
 IR Inten    --      1.6020                 1.2761                 1.3672
 RamAct Fr= 1--     21.5558                 4.5843                 2.7836
  Dep-P Fr= 1--      0.2923                 0.6717                 0.5575
  Dep-U Fr= 1--      0.4524                 0.8036                 0.7159
 Alpha2 Fr= 1--      0.2262                 0.0064                 0.0102
 Beta2  Fr= 1--      1.6253                 0.6140                 0.3321
 AlphaG Fr= 1--     -0.0583                 0.0710                 0.0061
 Gamma2 Fr= 1--     -2.5953                 6.7475                 0.9396
 Delta2 Fr= 1--     -0.0281                 3.7604                 0.5325
 Raman1 Fr= 1--      86.223                 18.337                 11.134
 ROA1   Fr= 1--    -250.050                768.089                107.246
 CID1   Fr= 1--      -2.900                 41.887                  9.632
 Raman2 Fr= 1--      19.504                  7.368                  3.986
 ROA2   Fr= 1--     -62.062                131.856                 18.291
 CID2   Fr= 1--      -3.182                 17.896                  4.589
 Raman3 Fr= 1--      39.007                 14.736                  7.971
 ROA3   Fr= 1--    -250.050                768.089                107.246
 CID3   Fr= 1--      -6.410                 52.124                 13.454
 RC180  Fr= 1--      -0.095                  0.607                  0.432
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01   0.01    -0.07   0.02  -0.03    -0.09   0.01  -0.02
     2   6     0.05   0.03  -0.02     0.03  -0.07   0.18     0.01   0.01  -0.00
     3   6    -0.02   0.00  -0.00     0.10   0.02  -0.08     0.04   0.00  -0.02
     4   6    -0.00   0.00  -0.00     0.02  -0.02   0.06     0.03  -0.03   0.10
     5   6    -0.00  -0.01   0.02    -0.12   0.03  -0.05    -0.03   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.07   0.02  -0.06     0.08   0.01  -0.05
     7   6    -0.11  -0.05  -0.03    -0.00   0.03  -0.05    -0.04  -0.03   0.02
     8   6    -0.05  -0.02  -0.04    -0.04  -0.07  -0.03     0.04   0.05   0.00
     9   6     0.02  -0.00  -0.01     0.01   0.02   0.03    -0.01  -0.01  -0.01
    10   6     0.00   0.02   0.06     0.01   0.02   0.02    -0.01  -0.01  -0.01
    11   6     0.01   0.01   0.00    -0.04  -0.02  -0.01    -0.08  -0.03  -0.02
    12   6    -0.00   0.01   0.01     0.01   0.00   0.00     0.01   0.01   0.01
    13   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.02   0.01    -0.22   0.05  -0.09     0.33  -0.08   0.14
    16   1     0.00   0.01  -0.02    -0.34  -0.05   0.23     0.16   0.03  -0.10
    17   1    -0.10   0.02  -0.02     0.33  -0.08   0.13    -0.24   0.05  -0.07
    18   1    -0.08  -0.00   0.06     0.14   0.02  -0.11    -0.33  -0.04   0.24
    19   1     0.29   0.22   0.07     0.25  -0.02   0.01     0.13   0.17   0.06
    20   1     0.45   0.28   0.19    -0.18  -0.01   0.04     0.05   0.01   0.02
    21   1     0.61  -0.06   0.13     0.22   0.46   0.06    -0.18  -0.32  -0.07
    22   1     0.01  -0.01  -0.01    -0.01  -0.01  -0.09     0.01   0.03   0.04
    23   1    -0.06   0.07  -0.03    -0.04  -0.08   0.01     0.05   0.05   0.00
    24   1    -0.04   0.02   0.00    -0.01   0.08  -0.05     0.02  -0.03  -0.00
    25   1    -0.14  -0.02   0.01    -0.03  -0.06   0.00     0.03   0.05   0.00
    26   1     0.06  -0.04  -0.11    -0.02  -0.03  -0.07     0.02   0.02   0.03
    27   1     0.16  -0.00  -0.08     0.07  -0.01  -0.01    -0.02   0.01  -0.02
    28   1    -0.07  -0.04  -0.03     0.27   0.08   0.07     0.53   0.14   0.13
    29   6    -0.01  -0.00   0.01     0.01   0.01  -0.01     0.02   0.01  -0.02
    30   1    -0.01  -0.02  -0.05    -0.00   0.00   0.01    -0.01  -0.01  -0.01
    31   1    -0.01  -0.01  -0.02     0.02   0.01   0.01     0.04   0.02   0.07
    32   1     0.01  -0.00  -0.02    -0.02   0.00   0.02    -0.03   0.01   0.09
    33   1     0.02   0.01   0.01    -0.06  -0.03  -0.03    -0.06  -0.01  -0.04
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.2949              1374.7353              1392.5279
 Red. masses --      1.4812                 1.3002                 1.9960
 Frc consts  --      1.6435                 1.4477                 2.2804
 IR Inten    --      0.6630                 2.0564                42.0235
 RamAct Fr= 1--      4.8461                16.6102                 3.8915
  Dep-P Fr= 1--      0.2597                 0.5471                 0.7500
  Dep-U Fr= 1--      0.4123                 0.7072                 0.8571
 Alpha2 Fr= 1--      0.0559                 0.0646                 0.0000
 Beta2  Fr= 1--      0.3330                 1.9578                 0.5559
 AlphaG Fr= 1--      0.1408                 0.0443                 0.0001
 Gamma2 Fr= 1--      2.4006                 0.0562                 1.3850
 Delta2 Fr= 1--      0.0078                -1.9132                -1.4999
 Raman1 Fr= 1--      19.385                 66.441                 15.566
 ROA1   Fr= 1--     230.702                -55.831                 84.960
 CID1   Fr= 1--      11.901                 -0.840                  5.458
 Raman2 Fr= 1--       3.996                 23.494                  6.671
 ROA2   Fr= 1--      57.551                 16.654                 45.238
 CID2   Fr= 1--      14.402                  0.709                  6.781
 Raman3 Fr= 1--       7.992                 46.988                 13.342
 ROA3   Fr= 1--     230.702                -55.831                 84.960
 CID3   Fr= 1--      28.867                 -1.188                  6.368
 RC180  Fr= 1--      -0.175                  0.414                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01    -0.01   0.01  -0.01     0.03  -0.01   0.01
     2   6    -0.02  -0.01   0.00    -0.02   0.02  -0.05    -0.00   0.00   0.00
     3   6     0.01  -0.00   0.00    -0.03  -0.01   0.02    -0.01   0.00  -0.00
     4   6     0.00  -0.01   0.02     0.01  -0.01   0.03    -0.00   0.02  -0.01
     5   6     0.00   0.00  -0.01     0.04  -0.01   0.01     0.02  -0.00  -0.00
     6   6     0.01   0.00  -0.00     0.00   0.00  -0.01    -0.03  -0.00   0.01
     7   6     0.10   0.03   0.02     0.04   0.04  -0.01    -0.00  -0.00  -0.00
     8   6    -0.14   0.08  -0.02    -0.03  -0.11   0.01     0.00   0.00   0.00
     9   6     0.04   0.01  -0.03     0.00   0.02   0.03    -0.00   0.00  -0.00
    10   6     0.01  -0.02   0.04     0.01   0.03  -0.00    -0.00  -0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.03  -0.01  -0.01     0.02  -0.17  -0.02
    12   6     0.00   0.00   0.00     0.00   0.01   0.01    -0.04   0.18   0.11
    13   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.03
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.06  -0.01
    15   1     0.07  -0.02   0.02     0.20  -0.05   0.07    -0.12   0.03  -0.05
    16   1     0.05   0.00  -0.03     0.22   0.03  -0.15    -0.02   0.01   0.01
    17   1    -0.01   0.01  -0.01    -0.23   0.06  -0.09     0.02   0.03   0.00
    18   1    -0.03  -0.02   0.02    -0.19  -0.03   0.12     0.08   0.02  -0.07
    19   1    -0.24  -0.18  -0.07    -0.32  -0.29  -0.11     0.02   0.02   0.00
    20   1    -0.36  -0.23  -0.15     0.14   0.07  -0.02    -0.01  -0.00   0.01
    21   1     0.60  -0.34   0.15     0.16   0.62   0.09    -0.02  -0.02  -0.01
    22   1     0.02  -0.19   0.10    -0.01   0.03  -0.09    -0.00  -0.01   0.00
    23   1    -0.08  -0.08  -0.06    -0.05  -0.05   0.01     0.00  -0.01  -0.00
    24   1    -0.03  -0.09   0.17    -0.03   0.08  -0.04     0.01  -0.01   0.01
    25   1    -0.04   0.06   0.02    -0.05  -0.11  -0.02     0.01   0.00   0.00
    26   1     0.12  -0.03  -0.06    -0.06  -0.02  -0.03     0.01   0.00   0.00
    27   1     0.07   0.04  -0.11     0.01  -0.03   0.07     0.00  -0.00  -0.00
    28   1     0.07   0.02   0.02     0.18   0.06   0.05    -0.09   0.74   0.17
    29   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.01   0.06  -0.02
    30   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02    -0.07  -0.17  -0.41
    31   1     0.00   0.00   0.01     0.02   0.01   0.04     0.03  -0.17   0.10
    32   1    -0.00   0.00   0.01    -0.01   0.01   0.05    -0.06   0.03   0.01
    33   1    -0.01   0.00  -0.00    -0.01   0.01  -0.01     0.03  -0.20  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.6256              1416.0924              1423.3031
 Red. masses --      1.2575                 1.2211                 1.2351
 Frc consts  --      1.4597                 1.4427                 1.4741
 IR Inten    --      5.7652                11.3766                 6.4359
 RamAct Fr= 1--      0.1577                 0.9948                 0.9052
  Dep-P Fr= 1--      0.3931                 0.6019                 0.5578
  Dep-U Fr= 1--      0.5643                 0.7515                 0.7161
 Alpha2 Fr= 1--      0.0012                 0.0027                 0.0033
 Beta2  Fr= 1--      0.0148                 0.1246                 0.1080
 AlphaG Fr= 1--      0.0037                 0.0020                 0.0028
 Gamma2 Fr= 1--     -0.0583                -0.0728                 0.0927
 Delta2 Fr= 1--     -0.0219                 0.0926                -0.1125
 Raman1 Fr= 1--       0.631                  3.979                  3.621
 ROA1   Fr= 1--      -6.293                 -4.026                  5.299
 CID1   Fr= 1--      -9.980                 -1.012                  1.463
 Raman2 Fr= 1--       0.178                  1.495                  1.296
 ROA2   Fr= 1--      -1.223                 -2.488                  3.124
 CID2   Fr= 1--      -6.873                 -1.664                  2.410
 Raman3 Fr= 1--       0.356                  2.990                  2.593
 ROA3   Fr= 1--      -6.293                 -4.026                  5.299
 CID3   Fr= 1--     -17.685                 -1.346                  2.044
 RC180  Fr= 1--       0.129                  0.503                  0.432
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   6     0.03  -0.03   0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
     9   6    -0.03   0.09  -0.03     0.00  -0.00   0.00     0.03  -0.09   0.04
    10   6    -0.11   0.02   0.00     0.00  -0.00   0.00    -0.09   0.01   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.02    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    15   1     0.01  -0.00   0.00    -0.05   0.01  -0.02    -0.00  -0.00  -0.00
    16   1     0.01   0.00  -0.01    -0.03  -0.01   0.01     0.01   0.00  -0.01
    17   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    18   1    -0.01   0.00   0.00     0.02   0.01  -0.02     0.00  -0.00  -0.00
    19   1     0.01  -0.01   0.00     0.02   0.01   0.00    -0.07   0.00  -0.01
    20   1     0.06   0.04   0.01    -0.02  -0.00   0.00    -0.09  -0.04   0.00
    21   1    -0.07   0.08  -0.01    -0.00  -0.01  -0.00     0.02  -0.02  -0.00
    22   1    -0.07  -0.33   0.15     0.00   0.00  -0.00     0.06   0.36  -0.18
    23   1     0.17  -0.34  -0.00    -0.00   0.01   0.00    -0.14   0.40   0.03
    24   1     0.21  -0.23   0.19    -0.00   0.00  -0.00    -0.19   0.26  -0.27
    25   1     0.41  -0.10   0.14     0.00   0.00   0.00     0.37  -0.02   0.14
    26   1     0.39   0.11  -0.11    -0.00  -0.00   0.00     0.35   0.09  -0.10
    27   1     0.35  -0.21  -0.09    -0.00   0.00  -0.00     0.31  -0.15  -0.15
    28   1     0.01  -0.01  -0.00    -0.02   0.05   0.01     0.00   0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.06  -0.09  -0.08     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.01  -0.02  -0.05     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.00     0.05   0.38   0.37    -0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00     0.35   0.17   0.44    -0.00  -0.00  -0.00
    33   1     0.00   0.01   0.00     0.30   0.48   0.12    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.1284              1485.6355              1490.3193
 Red. masses --      2.4823                 1.0759                 1.0465
 Frc consts  --      3.1181                 1.3990                 1.3695
 IR Inten    --      8.3591                 0.4670                 1.7558
 RamAct Fr= 1--      0.7030                 1.6150                12.9105
  Dep-P Fr= 1--      0.6966                 0.6571                 0.7290
  Dep-U Fr= 1--      0.8212                 0.7931                 0.8433
 Alpha2 Fr= 1--      0.0007                 0.0027                 0.0046
 Beta2  Fr= 1--      0.0962                 0.2135                 1.8145
 AlphaG Fr= 1--      0.0087                 0.0281                -0.0102
 Gamma2 Fr= 1--     -3.6607                 1.3318                 2.7317
 Delta2 Fr= 1--      1.4935                -0.2880                -0.4961
 Raman1 Fr= 1--       2.812                  6.460                 51.642
 ROA1   Fr= 1--    -303.641                118.637                246.366
 CID1   Fr= 1--    -107.987                 18.364                  4.771
 Raman2 Fr= 1--       1.155                  2.562                 21.774
 ROA2   Fr= 1--     -99.806                 34.267                 69.529
 CID2   Fr= 1--     -86.448                 13.377                  3.193
 Raman3 Fr= 1--       2.309                  5.123                 43.547
 ROA3   Fr= 1--    -303.641                118.637                246.366
 CID3   Fr= 1--    -131.501                 23.156                  5.657
 RC180  Fr= 1--       0.642                  0.586                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.00  -0.05    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.05   0.14    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.14   0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.14   0.00  -0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.14   0.02  -0.02     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01   0.00  -0.04     0.05  -0.03  -0.03     0.02  -0.01  -0.01
     8   6     0.00   0.01  -0.00    -0.01   0.01   0.00    -0.01   0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.03  -0.01  -0.00    -0.00   0.01   0.03
    10   6     0.00  -0.01   0.00     0.01   0.03   0.01    -0.00  -0.01  -0.04
    11   6    -0.04   0.02  -0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.02  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    15   1    -0.29   0.11  -0.22     0.02  -0.00   0.01     0.01   0.00   0.01
    16   1     0.25   0.09  -0.31    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    17   1    -0.32   0.11  -0.23     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1     0.21   0.08  -0.28     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1     0.20   0.13   0.02    -0.25   0.38  -0.07    -0.11   0.17  -0.03
    20   1    -0.19  -0.02   0.09    -0.19   0.06   0.40    -0.08   0.03   0.18
    21   1    -0.01  -0.03  -0.01     0.03   0.01   0.01     0.06  -0.02   0.01
    22   1    -0.01  -0.03  -0.03    -0.01  -0.13   0.20    -0.08  -0.25  -0.35
    23   1    -0.01   0.01  -0.00     0.32   0.15   0.09    -0.17   0.18  -0.01
    24   1     0.03  -0.02  -0.01     0.11   0.07  -0.24     0.32  -0.12  -0.12
    25   1     0.02   0.04   0.01    -0.02  -0.40  -0.01    -0.24   0.17  -0.09
    26   1    -0.04  -0.02  -0.00     0.10  -0.08  -0.28     0.13   0.23   0.43
    27   1    -0.01   0.03  -0.05    -0.18   0.04   0.17     0.16  -0.29   0.25
    28   1     0.35  -0.07   0.02    -0.01   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.01   0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00   0.01   0.04    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.01  -0.07     0.00  -0.00   0.00    -0.00   0.01  -0.00
    32   1    -0.03  -0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    33   1    -0.09   0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.01  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1482              1497.7682              1498.7956
 Red. masses --      1.0467                 1.0755                 1.0551
 Frc consts  --      1.3731                 1.4215                 1.3965
 IR Inten    --      4.6917                 2.3269                 9.5376
 RamAct Fr= 1--      6.4667                 3.3552                 5.9640
  Dep-P Fr= 1--      0.6142                 0.7475                 0.6830
  Dep-U Fr= 1--      0.7610                 0.8555                 0.8117
 Alpha2 Fr= 1--      0.0161                 0.0001                 0.0070
 Beta2  Fr= 1--      0.8202                 0.4784                 0.8068
 AlphaG Fr= 1--      0.0169                 0.0001                 0.0533
 Gamma2 Fr= 1--     -0.5510                 0.7013                -0.0076
 Delta2 Fr= 1--     -1.2351                -1.1233                 1.6554
 Raman1 Fr= 1--      25.867                 13.421                 23.856
 ROA1   Fr= 1--     -92.417                 31.376                 52.240
 CID1   Fr= 1--      -3.573                  2.338                  2.190
 Raman2 Fr= 1--       9.842                  5.741                  9.682
 ROA2   Fr= 1--      -3.344                 25.817                -13.427
 CID2   Fr= 1--      -0.340                  4.497                 -1.387
 Raman3 Fr= 1--      19.684                 11.482                 19.363
 ROA3   Fr= 1--     -92.417                 31.376                 52.240
 CID3   Fr= 1--      -4.695                  2.733                  2.698
 RC180  Fr= 1--       0.522                  0.711                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     3   6    -0.01  -0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.00   0.00
     5   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00     0.04  -0.03  -0.03    -0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.02  -0.02   0.01    -0.00   0.00  -0.00
     9   6    -0.00  -0.00   0.00     0.02   0.02  -0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00    -0.01  -0.02   0.01     0.00   0.00  -0.00
    11   6     0.02  -0.00  -0.01     0.00   0.00   0.00    -0.02   0.03  -0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.02  -0.00   0.01     0.03  -0.00   0.02    -0.01   0.00  -0.01
    16   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.01  -0.01  -0.00
    17   1     0.03  -0.01   0.01     0.00  -0.00   0.01    -0.01   0.00  -0.01
    18   1     0.02   0.00  -0.01    -0.01  -0.00   0.01    -0.00   0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.24   0.38  -0.07     0.04  -0.05   0.01
    20   1     0.00  -0.00  -0.00    -0.14   0.10   0.43     0.01  -0.01  -0.05
    21   1     0.00  -0.00   0.00    -0.05   0.07  -0.00     0.01  -0.01   0.00
    22   1    -0.00  -0.01  -0.00     0.01   0.13  -0.18    -0.00  -0.02   0.02
    23   1     0.00   0.01   0.00    -0.31  -0.21  -0.09     0.04   0.03   0.01
    24   1     0.01  -0.00  -0.01    -0.12  -0.09   0.29     0.02   0.01  -0.04
    25   1    -0.00  -0.00  -0.00     0.16   0.24   0.06    -0.02  -0.02  -0.01
    26   1     0.00   0.00   0.00    -0.20  -0.09  -0.02     0.02   0.01   0.01
    27   1     0.00  -0.01   0.01     0.04   0.16  -0.30    -0.00  -0.02   0.03
    28   1    -0.06  -0.02  -0.04    -0.01  -0.01  -0.01     0.02  -0.09  -0.03
    29   6     0.04   0.01  -0.03    -0.00   0.00  -0.00    -0.03   0.03  -0.03
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.02
    31   1    -0.00  -0.47  -0.10     0.01  -0.05   0.07     0.08  -0.33   0.56
    32   1    -0.47  -0.08   0.51    -0.05  -0.02  -0.02    -0.31  -0.12  -0.20
    33   1    -0.18   0.48   0.06     0.08  -0.01   0.01     0.61  -0.10   0.05
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.4930              1511.5411              1551.6388
 Red. masses --      1.0527                 1.0509                 2.4468
 Frc consts  --      1.4039                 1.4147                 3.4708
 IR Inten    --      4.7131                12.5894                26.1709
 RamAct Fr= 1--      9.6942                 0.9866                 0.1360
  Dep-P Fr= 1--      0.7276                 0.5429                 0.5430
  Dep-U Fr= 1--      0.8423                 0.7037                 0.7038
 Alpha2 Fr= 1--      0.0037                 0.0039                 0.0005
 Beta2  Fr= 1--      1.3609                 0.1157                 0.0160
 AlphaG Fr= 1--      0.0169                -0.0018                 0.0070
 Gamma2 Fr= 1--     -0.7512                -1.5599                 0.1798
 Delta2 Fr= 1--      0.2099                -0.3447                 0.0516
 Raman1 Fr= 1--      38.777                  3.946                  0.544
 ROA1   Fr= 1--     -65.401               -160.778                 18.914
 CID1   Fr= 1--      -1.687                -40.741                 34.770
 Raman2 Fr= 1--      16.331                  1.389                  0.191
 ROA2   Fr= 1--     -19.709                -34.680                  3.903
 CID2   Fr= 1--      -1.207                -24.975                 20.390
 Raman3 Fr= 1--      32.662                  2.777                  0.383
 ROA3   Fr= 1--     -65.401               -160.778                 18.914
 CID3   Fr= 1--      -2.002                -57.893                 49.403
 RC180  Fr= 1--       0.685                  0.407                  0.408
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.16  -0.01  -0.02
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     4   6     0.00  -0.00   0.01    -0.00  -0.00   0.00     0.16  -0.01  -0.02
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.11   0.04  -0.08
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08  -0.03   0.11
     7   6    -0.00  -0.01  -0.00     0.02  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.02   0.03  -0.01    -0.01  -0.03  -0.03    -0.00  -0.00  -0.00
     9   6     0.03  -0.00  -0.01    -0.01  -0.01  -0.03     0.00  -0.00  -0.00
    10   6    -0.01   0.03  -0.02    -0.00  -0.02  -0.02     0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.01   0.01  -0.00    -0.01  -0.00  -0.01     0.43  -0.08   0.10
    16   1    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.42   0.05  -0.24
    17   1    -0.00   0.00  -0.01    -0.01   0.00  -0.00     0.43  -0.08   0.10
    18   1     0.01   0.00  -0.01    -0.00  -0.00   0.00     0.40   0.04  -0.22
    19   1     0.02   0.05   0.00    -0.06   0.12  -0.01    -0.04   0.02   0.00
    20   1    -0.03  -0.01   0.02    -0.06   0.02   0.12    -0.04   0.01   0.02
    21   1    -0.02  -0.04  -0.03     0.04   0.08  -0.02     0.01   0.00   0.00
    22   1     0.06   0.28  -0.07     0.08   0.21   0.49     0.00   0.01   0.01
    23   1    -0.28  -0.28  -0.09     0.35  -0.16   0.05     0.00  -0.01  -0.00
    24   1    -0.28  -0.04   0.35    -0.33   0.19   0.01    -0.02   0.01   0.00
    25   1    -0.20  -0.40  -0.08    -0.15   0.30  -0.05    -0.01   0.01  -0.00
    26   1     0.30   0.09  -0.06     0.01   0.17   0.38    -0.00   0.01   0.01
    27   1    -0.11  -0.20   0.42     0.20  -0.19   0.05     0.02  -0.01  -0.00
    28   1     0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.03   0.01   0.01
    29   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00  -0.00
    30   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.00  -0.00  -0.00     0.00   0.06   0.03
    32   1    -0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.05   0.01  -0.04
    33   1     0.01  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.04  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.1596              1658.1202              1805.9255
 Red. masses --      6.0232                 5.7989                 9.5438
 Frc consts  --      9.2922                 9.3935                18.3389
 IR Inten    --      0.0137                 0.9588               273.1766
 RamAct Fr= 1--      1.8334               117.5891                12.2033
  Dep-P Fr= 1--      0.6882                 0.4916                 0.2051
  Dep-U Fr= 1--      0.8153                 0.6592                 0.3404
 Alpha2 Fr= 1--      0.0020                 0.6036                 0.1635
 Beta2  Fr= 1--      0.2491                12.9183                 0.6923
 AlphaG Fr= 1--     -0.0394                -0.0280                -0.4065
 Gamma2 Fr= 1--      0.2161                 0.4633                -1.7253
 Delta2 Fr= 1--     -0.1233                -0.3122                 0.8451
 Raman1 Fr= 1--       7.334                470.356                 48.813
 ROA1   Fr= 1--      16.803                 34.484               -138.582
 CID1   Fr= 1--       2.291                  0.073                 -2.839
 Raman2 Fr= 1--       2.989                155.019                  8.307
 ROA2   Fr= 1--       6.174                 13.616                -48.168
 CID2   Fr= 1--       2.065                  0.088                 -5.798
 Raman3 Fr= 1--       5.979                310.039                 16.614
 ROA3   Fr= 1--      16.803                 34.484               -138.582
 CID3   Fr= 1--       2.810                  0.111                 -8.341
 RC180  Fr= 1--       0.631                  0.318                 -0.319
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.08   0.18     0.30  -0.04   0.04    -0.01   0.00  -0.00
     2   6    -0.04   0.12  -0.32    -0.21   0.01   0.02     0.00  -0.00   0.00
     3   6     0.08   0.07  -0.21    -0.27  -0.01   0.11     0.01  -0.00   0.00
     4   6     0.04  -0.12   0.33     0.19  -0.01  -0.02    -0.02   0.00  -0.00
     5   6    -0.11   0.08  -0.18    -0.29   0.04  -0.04     0.01  -0.00   0.00
     6   6    -0.08  -0.07   0.21     0.28   0.01  -0.11    -0.01   0.00   0.00
     7   6     0.01  -0.01   0.04     0.03  -0.00  -0.01    -0.00   0.00  -0.00
     8   6     0.00  -0.01   0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.00    -0.01   0.04  -0.04
    12   6    -0.00  -0.01   0.00     0.00   0.00   0.02     0.25  -0.31   0.58
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.16   0.17  -0.38
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.02  -0.05
    15   1    -0.30   0.02   0.03    -0.31   0.10  -0.19     0.02  -0.00   0.00
    16   1    -0.32   0.01   0.06     0.26   0.07  -0.28     0.02  -0.02  -0.01
    17   1     0.29  -0.02  -0.04     0.29  -0.10   0.18    -0.02   0.01  -0.01
    18   1     0.30  -0.01  -0.05    -0.25  -0.07   0.27     0.00   0.00  -0.01
    19   1    -0.24  -0.01  -0.03     0.01   0.01  -0.01     0.00  -0.00   0.00
    20   1     0.16   0.04  -0.00     0.03   0.01   0.01     0.00   0.00  -0.00
    21   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.00   0.00  -0.00
    22   1    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.00   0.00
    23   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1     0.01  -0.00  -0.01     0.01  -0.01   0.00    -0.00   0.00  -0.00
    25   1     0.01   0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.02  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    27   1     0.00   0.01  -0.02    -0.01   0.00   0.00     0.00  -0.00  -0.00
    28   1     0.28  -0.04   0.01    -0.02   0.01   0.00    -0.11   0.20  -0.00
    29   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    30   1     0.00   0.01   0.01     0.00   0.00   0.00     0.09   0.16   0.43
    31   1     0.00  -0.02   0.01     0.00   0.02   0.02     0.02  -0.03   0.01
    32   1    -0.02  -0.00   0.00     0.02   0.00  -0.00    -0.06  -0.04  -0.09
    33   1     0.02   0.02   0.01     0.02  -0.00   0.00     0.02  -0.06   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.0980              3018.6726              3020.6560
 Red. masses --      1.0813                 1.0501                 1.0406
 Frc consts  --      5.7455                 5.6378                 5.5941
 IR Inten    --      3.8294                 8.6114                43.1538
 RamAct Fr= 1--    142.6430                15.3439                30.3042
  Dep-P Fr= 1--      0.2125                 0.6206                 0.2591
  Dep-U Fr= 1--      0.3505                 0.7659                 0.4116
 Alpha2 Fr= 1--      1.8735                 0.0363                 0.3500
 Beta2  Fr= 1--      8.3337                 1.9586                 2.0789
 AlphaG Fr= 1--      1.1114                 0.0865                -0.2147
 Gamma2 Fr= 1--     11.7361                -4.4128                 0.2583
 Delta2 Fr= 1--      6.4381                -2.4188                -3.8214
 Raman1 Fr= 1--     570.572                 61.376                121.217
 ROA1   Fr= 1--    1332.689               -501.033                -97.489
 CID1   Fr= 1--       2.336                 -8.163                 -0.804
 Raman2 Fr= 1--     100.005                 23.503                 24.947
 ROA2   Fr= 1--     230.163                -86.558                 36.771
 CID2   Fr= 1--       2.302                 -3.683                  1.474
 Raman3 Fr= 1--     200.009                 47.005                 49.895
 ROA3   Fr= 1--    1332.689               -501.033                -97.489
 CID3   Fr= 1--       6.663                -10.659                 -1.954
 RC180  Fr= 1--      -0.299                  0.532                 -0.177
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00   0.02     0.03  -0.04  -0.03    -0.01   0.02   0.01
     8   6     0.02   0.00  -0.08     0.00  -0.00  -0.01     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.03  -0.03
    10   6    -0.00  -0.00   0.01    -0.03   0.01   0.01    -0.03   0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00  -0.00   0.00     0.01   0.00  -0.01    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1     0.05   0.01  -0.23    -0.11  -0.03   0.52     0.06   0.01  -0.28
    20   1     0.00  -0.01   0.01    -0.19   0.48  -0.21     0.10  -0.24   0.11
    21   1    -0.23  -0.03   0.91    -0.02  -0.00   0.09     0.00   0.00  -0.01
    22   1    -0.00   0.00   0.00    -0.02   0.00   0.00     0.28  -0.03  -0.04
    23   1     0.04   0.01  -0.17     0.01   0.00  -0.06    -0.12  -0.03   0.53
    24   1    -0.01  -0.00  -0.00     0.01   0.01   0.01    -0.17  -0.25  -0.18
    25   1     0.04   0.00  -0.12     0.12   0.01  -0.42     0.11   0.01  -0.38
    26   1    -0.01   0.04  -0.01     0.08  -0.29   0.13     0.08  -0.27   0.12
    27   1    -0.02  -0.03  -0.02     0.14   0.22   0.15     0.14   0.22   0.15
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.9855              3047.2654              3056.5326
 Red. masses --      1.0435                 1.0356                 1.1034
 Frc consts  --      5.6333                 5.6656                 6.0735
 IR Inten    --     47.1351                25.5373                15.4116
 RamAct Fr= 1--    425.7805               227.8288                31.7550
  Dep-P Fr= 1--      0.0079                 0.0624                 0.7232
  Dep-U Fr= 1--      0.0157                 0.1174                 0.8394
 Alpha2 Fr= 1--      9.2886                 4.3694                 0.0146
 Beta2  Fr= 1--      1.1135                 4.4580                 4.4423
 AlphaG Fr= 1--     -1.0559                -0.2604                -0.1510
 Gamma2 Fr= 1--     -1.5750                 0.9823                -1.2745
 Delta2 Fr= 1--     -0.0606                 3.9699                 1.7072
 Raman1 Fr= 1--    1703.122                911.315                127.020
 ROA1   Fr= 1--    -153.138                221.340                -67.719
 CID1   Fr= 1--      -0.090                  0.243                 -0.533
 Raman2 Fr= 1--      13.362                 53.497                 53.307
 ROA2   Fr= 1--     -37.315                 -8.183                -44.246
 CID2   Fr= 1--      -2.793                 -0.153                 -0.830
 Raman3 Fr= 1--      26.725                106.993                106.614
 ROA3   Fr= 1--    -153.138                221.340                -67.719
 CID3   Fr= 1--      -5.730                  2.069                 -0.635
 RC180  Fr= 1--      -0.969                 -0.765                  0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.02  -0.03  -0.01     0.00  -0.00   0.00    -0.01   0.05  -0.08
     8   6     0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.01
     9   6    -0.00   0.03  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    10   6     0.03  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    16   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    19   1    -0.05  -0.01   0.26    -0.00  -0.00   0.00    -0.16  -0.01   0.68
    20   1    -0.13   0.31  -0.13    -0.00   0.00  -0.00     0.24  -0.58   0.23
    21   1    -0.04  -0.01   0.17    -0.00  -0.00   0.00    -0.03  -0.00   0.13
    22   1     0.30  -0.04  -0.04     0.00  -0.00  -0.00     0.05  -0.01  -0.00
    23   1    -0.11  -0.03   0.50    -0.00  -0.00   0.00     0.01   0.00  -0.04
    24   1    -0.18  -0.26  -0.18    -0.00  -0.00  -0.00    -0.04  -0.06  -0.04
    25   1    -0.09  -0.01   0.32    -0.00  -0.00   0.00     0.03   0.00  -0.10
    26   1    -0.08   0.27  -0.12    -0.00   0.00  -0.00    -0.03   0.11  -0.04
    27   1    -0.13  -0.21  -0.14    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    28   1    -0.00  -0.00   0.00    -0.01  -0.01   0.04    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.03  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.00   0.00   0.00     0.66  -0.03  -0.13     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.20   0.53  -0.10    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00    -0.08  -0.11   0.44    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.4312              3077.9775              3084.3799
 Red. masses --      1.0840                 1.0995                 1.0994
 Frc consts  --      6.0211                 6.1374                 6.1623
 IR Inten    --      6.7513                10.5037                55.5737
 RamAct Fr= 1--     69.9418                25.0025               119.3960
  Dep-P Fr= 1--      0.2047                 0.7403                 0.4544
  Dep-U Fr= 1--      0.3399                 0.8507                 0.6249
 Alpha2 Fr= 1--      0.9379                 0.0041                 0.7190
 Beta2  Fr= 1--      3.9622                 3.5451                12.4346
 AlphaG Fr= 1--     -0.0445                -0.0234                -1.4326
 Gamma2 Fr= 1--     -1.4077               -10.0270                 5.1736
 Delta2 Fr= 1--     -3.3508                 4.3481               -15.8603
 Raman1 Fr= 1--     279.767                100.010                477.584
 ROA1   Fr= 1--    -242.363               -823.455                -10.861
 CID1   Fr= 1--      -0.866                 -8.234                 -0.023
 Raman2 Fr= 1--      47.546                 42.542                149.216
 ROA2   Fr= 1--      -6.978               -275.434                251.049
 CID2   Fr= 1--      -0.147                 -6.474                  1.682
 Raman3 Fr= 1--      95.093                 85.083                298.432
 ROA3   Fr= 1--    -242.363               -823.455                -10.861
 CID3   Fr= 1--      -2.549                 -9.678                 -0.036
 RC180  Fr= 1--      -0.320                  0.701                  0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.02
     9   6     0.00   0.00   0.00    -0.00   0.03   0.05     0.00   0.03   0.06
    10   6    -0.00   0.00   0.00    -0.01   0.01  -0.07     0.00  -0.03   0.05
    11   6     0.01   0.02  -0.08    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    16   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.01   0.01  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.01
    19   1     0.00   0.00  -0.00    -0.01  -0.00   0.04     0.02  -0.00  -0.11
    20   1     0.00   0.00  -0.00     0.01  -0.03   0.01    -0.03   0.09  -0.03
    21   1     0.00   0.00  -0.00    -0.01  -0.00   0.04     0.05   0.01  -0.19
    22   1     0.00  -0.00   0.00     0.17  -0.02  -0.00     0.15  -0.02  -0.00
    23   1     0.00   0.00  -0.00     0.09   0.03  -0.37     0.10   0.04  -0.43
    24   1    -0.00  -0.00  -0.00    -0.24  -0.36  -0.23    -0.26  -0.39  -0.25
    25   1     0.00   0.00  -0.00    -0.16  -0.01   0.53     0.12   0.00  -0.41
    26   1     0.00  -0.00   0.00     0.10  -0.33   0.13    -0.13   0.43  -0.18
    27   1    -0.00  -0.00  -0.00     0.18   0.27   0.16    -0.04  -0.06  -0.02
    28   1    -0.18  -0.22   0.94     0.00   0.00  -0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1     0.04  -0.00  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   1     0.03   0.04  -0.15    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3089.8929              3103.8650              3110.9439
 Red. masses --      1.1013                 1.1002                 1.1023
 Frc consts  --      6.1952                 6.2450                 6.2854
 IR Inten    --     42.8225                32.7264                27.0852
 RamAct Fr= 1--    133.6099                57.2761               114.5708
  Dep-P Fr= 1--      0.6576                 0.7123                 0.6852
  Dep-U Fr= 1--      0.7934                 0.8320                 0.8132
 Alpha2 Fr= 1--      0.2207                 0.0374                 0.1305
 Beta2  Fr= 1--     17.6685                 7.9420                15.5286
 AlphaG Fr= 1--     -0.2537                -0.1140                 0.0784
 Gamma2 Fr= 1--      3.0061                -8.9108                 1.2938
 Delta2 Fr= 1--      8.8685                 0.0694                -5.4984
 Raman1 Fr= 1--     534.440                229.104                458.283
 ROA1   Fr= 1--     572.375               -853.213                -51.745
 CID1   Fr= 1--       1.071                 -3.724                 -0.113
 Raman2 Fr= 1--     212.022                 95.304                186.343
 ROA2   Fr= 1--       1.198               -214.413                 75.038
 CID2   Fr= 1--       0.006                 -2.250                  0.403
 Raman3 Fr= 1--     424.043                190.608                372.686
 ROA3   Fr= 1--     572.375               -853.213                -51.745
 CID3   Fr= 1--       1.350                 -4.476                 -0.139
 RC180  Fr= 1--       0.587                  0.664                  0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   6     0.00  -0.01  -0.02    -0.09  -0.02   0.00     0.00   0.00   0.00
    10   6    -0.02  -0.09  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1    -0.00   0.00   0.01     0.00   0.00  -0.01    -0.00  -0.00   0.00
    20   1    -0.01   0.02  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.01  -0.00   0.05     0.01   0.00  -0.03     0.00  -0.00  -0.00
    22   1    -0.09   0.01   0.01     0.86  -0.13  -0.09    -0.01   0.00   0.00
    23   1    -0.03  -0.01   0.13     0.02   0.01  -0.17    -0.00   0.00   0.00
    24   1     0.08   0.11   0.07     0.20   0.32   0.22    -0.00  -0.00  -0.00
    25   1    -0.04  -0.02   0.12     0.00  -0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.16   0.49  -0.23    -0.01   0.02  -0.01     0.00  -0.00   0.00
    27   1     0.38   0.56   0.38     0.02   0.02   0.02    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.01   0.01  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.02
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.01  -0.13
    32   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.22  -0.63   0.12
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.06  -0.19
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.8176              3157.0589              3164.7686
 Red. masses --      1.1014                 1.0866                 1.0875
 Frc consts  --      6.3566                 6.3812                 6.4173
 IR Inten    --     12.7379                11.7241                10.9165
 RamAct Fr= 1--     30.1106                57.1005                54.2719
  Dep-P Fr= 1--      0.6697                 0.6995                 0.6025
  Dep-U Fr= 1--      0.8022                 0.8232                 0.7519
 Alpha2 Fr= 1--      0.0429                 0.0502                 0.1480
 Beta2  Fr= 1--      4.0259                 7.8343                 6.8015
 AlphaG Fr= 1--      0.0811                 0.0653                -0.1128
 Gamma2 Fr= 1--     -1.1707                 0.0750                -1.9246
 Delta2 Fr= 1--      2.8040                -0.6506                 1.8935
 Raman1 Fr= 1--     120.443                228.402                217.088
 ROA1   Fr= 1--     -22.657                -13.615               -124.174
 CID1   Fr= 1--      -0.188                 -0.060                 -0.572
 Raman2 Fr= 1--      48.310                 94.011                 81.618
 ROA2   Fr= 1--     -50.528                  7.006                -61.339
 CID2   Fr= 1--      -1.046                  0.075                 -0.752
 Raman3 Fr= 1--      96.620                188.022                163.237
 ROA3   Fr= 1--     -22.657                -13.615               -124.174
 CID3   Fr= 1--      -0.234                 -0.072                 -0.761
 RC180  Fr= 1--       0.604                  0.646                  0.504
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.03   0.02  -0.07
     2   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.01   0.03
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.02  -0.01   0.04     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.04   0.02  -0.05    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.01     0.01   0.01  -0.02    -0.35  -0.24   0.78
    16   1    -0.02   0.01  -0.03     0.02  -0.01   0.02    -0.26   0.15  -0.34
    17   1     0.01   0.01  -0.02     0.23   0.16  -0.52    -0.01  -0.01   0.03
    18   1     0.00  -0.00   0.00     0.46  -0.26   0.60     0.04  -0.02   0.05
    19   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.02
    20   1     0.00  -0.00   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    24   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1    -0.03  -0.03   0.15     0.01   0.00  -0.02    -0.00   0.00  -0.00
    29   6     0.01   0.05  -0.08    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.19   0.02   0.02     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    32   1     0.16  -0.42   0.07    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    33   1    -0.13  -0.19   0.82     0.00   0.00  -0.01     0.00   0.01  -0.02
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3174.9148              3184.4944              3723.4207
 Red. masses --      1.0936                 1.0934                 1.0639
 Frc consts  --      6.4951                 6.5331                 8.6906
 IR Inten    --     16.5349                 3.8802                62.9100
 RamAct Fr= 1--    125.7612               125.9837               113.4447
  Dep-P Fr= 1--      0.1524                 0.1301                 0.2385
  Dep-U Fr= 1--      0.2645                 0.2303                 0.3852
 Alpha2 Fr= 1--      1.9324                 2.0474                 1.3881
 Beta2  Fr= 1--      5.5431                 4.8356                 7.2826
 AlphaG Fr= 1--      0.1125                -0.3650                -0.4360
 Gamma2 Fr= 1--      1.6390                 0.0483                -5.5762
 Delta2 Fr= 1--      0.9440                -1.2713                 0.0958
 Raman1 Fr= 1--     503.045                503.935                453.779
 ROA1   Fr= 1--     187.555                -36.042               -532.249
 CID1   Fr= 1--       0.373                 -0.072                 -1.173
 Raman2 Fr= 1--      66.517                 58.027                 87.391
 ROA2   Fr= 1--      31.784                 11.331               -134.595
 CID2   Fr= 1--       0.478                  0.195                 -1.540
 Raman3 Fr= 1--     133.034                116.054                174.782
 ROA3   Fr= 1--     187.555                -36.042               -532.249
 CID3   Fr= 1--       1.410                 -0.311                 -3.045
 RC180  Fr= 1--      -0.471                 -0.539                 -0.230
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.02   0.01  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.00  -0.01    -0.05   0.03  -0.06     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.03   0.02  -0.06    -0.00  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.03   0.02  -0.04     0.00  -0.00   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.06   0.01
    15   1     0.00   0.00  -0.01    -0.18  -0.13   0.40    -0.00  -0.00   0.00
    16   1     0.07  -0.04   0.09     0.51  -0.29   0.65     0.00   0.00  -0.00
    17   1    -0.32  -0.22   0.70     0.03   0.02  -0.07     0.00   0.00  -0.00
    18   1     0.34  -0.19   0.43    -0.04   0.02  -0.06    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    20   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   1    -0.01  -0.00   0.02     0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.28   0.93  -0.23
    31   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.01    -0.00  -0.01   0.03    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1336.314586890.985537245.92905
           X            0.99985   0.01732   0.00018
           Y           -0.01732   0.99979  -0.01114
           Z           -0.00038   0.01113   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06482     0.01257     0.01195
 Rotational constants (GHZ):           1.35054     0.26190     0.24907
 Zero-point vibrational energy     746012.6 (Joules/Mol)
                                  178.30130 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.85    52.57    65.71    77.72    97.13
          (Kelvin)            155.90   230.59   284.90   321.33   329.89
                              359.75   367.12   429.12   462.77   501.58
                              556.61   590.95   603.62   611.34   650.61
                              793.31   814.56   891.06   925.04   957.77
                             1036.70  1085.12  1160.12  1184.05  1205.99
                             1227.86  1235.87  1256.84  1290.77  1347.14
                             1373.67  1382.09  1398.82  1408.16  1460.05
                             1505.17  1559.54  1578.54  1593.11  1638.17
                             1651.98  1671.17  1717.80  1743.55  1758.01
                             1778.77  1796.66  1842.29  1884.14  1897.49
                             1941.54  1961.71  1974.43  1977.94  2003.54
                             2019.50  2037.44  2047.82  2100.80  2137.50
                             2144.24  2146.87  2154.95  2156.43  2164.63
                             2174.77  2232.46  2328.17  2385.67  2598.32
                             4320.79  4343.20  4346.05  4355.16  4384.34
                             4397.67  4417.67  4428.52  4437.73  4445.67
                             4465.77  4475.95  4503.11  4542.30  4553.40
                             4567.99  4581.78  5357.17
 
 Zero-point correction=                           0.284141 (Hartree/Particle)
 Thermal correction to Energy=                    0.299830
 Thermal correction to Enthalpy=                  0.300775
 Thermal correction to Gibbs Free Energy=         0.239420
 Sum of electronic and zero-point Energies=           -656.740223
 Sum of electronic and thermal Energies=              -656.724534
 Sum of electronic and thermal Enthalpies=            -656.723590
 Sum of electronic and thermal Free Energies=         -656.784944
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.146             58.737            129.131
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.567
 Vibrational            186.369             52.776             54.690
 Vibration     1          0.593              1.985              6.198
 Vibration     2          0.594              1.982              5.439
 Vibration     3          0.595              1.979              4.997
 Vibration     4          0.596              1.976              4.665
 Vibration     5          0.598              1.970              4.225
 Vibration     6          0.606              1.943              3.298
 Vibration     7          0.622              1.891              2.547
 Vibration     8          0.637              1.843              2.151
 Vibration     9          0.649              1.806              1.932
 Vibration    10          0.652              1.796              1.885
 Vibration    11          0.663              1.763              1.730
 Vibration    12          0.666              1.754              1.695
 Vibration    13          0.691              1.677              1.427
 Vibration    14          0.707              1.632              1.302
 Vibration    15          0.726              1.578              1.172
 Vibration    16          0.755              1.498              1.012
 Vibration    17          0.775              1.447              0.924
 Vibration    18          0.782              1.428              0.894
 Vibration    19          0.787              1.416              0.875
 Vibration    20          0.811              1.356              0.789
 Vibration    21          0.907              1.137              0.541
 Vibration    22          0.922              1.104              0.512
 Vibration    23          0.979              0.991              0.418
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.749076-110       -110.125474       -253.573275
 Total V=0       0.371788D+21         20.570295         47.364854
 Vib (Bot)       0.220227-124       -124.657130       -287.033648
 Vib (Bot)    1  0.831238D+01          0.919725          2.117746
 Vib (Bot)    2  0.566450D+01          0.753162          1.734219
 Vib (Bot)    3  0.452854D+01          0.655958          1.510399
 Vib (Bot)    4  0.382557D+01          0.582696          1.341707
 Vib (Bot)    5  0.305595D+01          0.485146          1.117091
 Vib (Bot)    6  0.189080D+01          0.276646          0.637000
 Vib (Bot)    7  0.126132D+01          0.100826          0.232160
 Vib (Bot)    8  0.100772D+01          0.003341          0.007694
 Vib (Bot)    9  0.884431D+00         -0.053336         -0.122811
 Vib (Bot)   10  0.859278D+00         -0.065866         -0.151663
 Vib (Bot)   11  0.780544D+00         -0.107603         -0.247765
 Vib (Bot)   12  0.763002D+00         -0.117474         -0.270494
 Vib (Bot)   13  0.638261D+00         -0.195002         -0.449008
 Vib (Bot)   14  0.583879D+00         -0.233677         -0.538062
 Vib (Bot)   15  0.529704D+00         -0.275967         -0.635437
 Vib (Bot)   16  0.465106D+00         -0.332448         -0.765490
 Vib (Bot)   17  0.430513D+00         -0.366014         -0.842779
 Vib (Bot)   18  0.418679D+00         -0.378119         -0.870652
 Vib (Bot)   19  0.411692D+00         -0.385428         -0.887480
 Vib (Bot)   20  0.378557D+00         -0.421869         -0.971389
 Vib (Bot)   21  0.284239D+00         -0.546316         -1.257940
 Vib (Bot)   22  0.272882D+00         -0.564024         -1.298714
 Vib (Bot)   23  0.236300D+00         -0.626536         -1.442653
 Vib (V=0)       0.109305D+07          6.038639         13.904481
 Vib (V=0)    1  0.882740D+01          0.945833          2.177861
 Vib (V=0)    2  0.618653D+01          0.791447          1.822374
 Vib (V=0)    3  0.505606D+01          0.703812          1.620587
 Vib (V=0)    4  0.435810D+01          0.639298          1.472037
 Vib (V=0)    5  0.359659D+01          0.555890          1.279985
 Vib (V=0)    6  0.245579D+01          0.390192          0.898450
 Vib (V=0)    7  0.185681D+01          0.268767          0.618859
 Vib (V=0)    8  0.162495D+01          0.210839          0.485475
 Vib (V=0)    9  0.151598D+01          0.180694          0.416063
 Vib (V=0)   10  0.149416D+01          0.174398          0.401566
 Vib (V=0)   11  0.142696D+01          0.154411          0.355544
 Vib (V=0)   12  0.141223D+01          0.149907          0.345174
 Vib (V=0)   13  0.131079D+01          0.117532          0.270629
 Vib (V=0)   14  0.126871D+01          0.103362          0.238000
 Vib (V=0)   15  0.122841D+01          0.089345          0.205723
 Vib (V=0)   16  0.118288D+01          0.072940          0.167951
 Vib (V=0)   17  0.115980D+01          0.064385          0.148251
 Vib (V=0)   18  0.115214D+01          0.061507          0.141625
 Vib (V=0)   19  0.114768D+01          0.059821          0.137743
 Vib (V=0)   20  0.112714D+01          0.051978          0.119684
 Vib (V=0)   21  0.107515D+01          0.031467          0.072456
 Vib (V=0)   22  0.106962D+01          0.029229          0.067302
 Vib (V=0)   23  0.105303D+01          0.022439          0.051668
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.292407D+07          6.465988         14.888487
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888887766655444433322222111     
     2        87653109877542210                           051510999986210977641184321964309841776539755320526416552218429552296065432
     3        45570140480777193                           688224982060364352399009622428977465921567493836416396125017928509380884675
 
     X        XXXXXXXXXXXXXXXXX                           XX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX   X               X  XX                     
     X                X                                   X                           X    X                  X                      
     X                                                    X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000004035    0.000001323    0.000000104
      2        6           0.000003910    0.000002414   -0.000004065
      3        6           0.000000010    0.000000013   -0.000000316
      4        6          -0.000010760    0.000000438    0.000003151
      5        6           0.000006994   -0.000006001   -0.000000139
      6        6          -0.000005750    0.000000426    0.000002929
      7        6          -0.000004046    0.000011316    0.000007688
      8        6          -0.000001686    0.000002896   -0.000003646
      9        6          -0.000000301   -0.000006542    0.000000877
     10        6          -0.000004305   -0.000003255    0.000000078
     11        6           0.000017363    0.000008199    0.000001644
     12        6          -0.000003287    0.000005996    0.000006641
     13        8          -0.000001001   -0.000002553   -0.000004183
     14        8           0.000001231   -0.000006175   -0.000002322
     15        1          -0.000000147   -0.000000439    0.000000616
     16        1          -0.000000584    0.000000214    0.000000726
     17        1          -0.000000546    0.000001543   -0.000000256
     18        1           0.000000796    0.000000377   -0.000000903
     19        1           0.000001642   -0.000002725   -0.000003513
     20        1           0.000003838   -0.000001836   -0.000001394
     21        1          -0.000001019   -0.000002823    0.000003310
     22        1          -0.000000616    0.000000078   -0.000001528
     23        1          -0.000000904    0.000002569   -0.000001920
     24        1           0.000000360   -0.000001108   -0.000000855
     25        1           0.000002157   -0.000000520   -0.000001388
     26        1           0.000000217    0.000000011   -0.000000797
     27        1          -0.000001587    0.000000464   -0.000002081
     28        1          -0.000003703    0.000001020    0.000002065
     29        6          -0.000001136   -0.000004813   -0.000004708
     30        1          -0.000000067   -0.000001558   -0.000000163
     31        1          -0.000000810    0.000000068    0.000000699
     32        1          -0.000000449    0.000000464    0.000002133
     33        1           0.000000151    0.000000517    0.000001516
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000017363 RMS     0.000003648
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.221055D+03 -0.122851D+01  0.205995D+01
      2  -0.122851D+01  0.139912D+03 -0.763972D+01
      3   0.205995D+01 -0.763972D+01  0.151064D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.799907D+01 -0.756691D+01  0.235147D+02
      2  -0.558360D+00 -0.628614D+01  0.381507D+02
      3  -0.100032D+03 -0.452239D+02  0.116815D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.253876D+03  0.400836D+02 -0.226284D+02
      2  -0.134663D+03 -0.263079D+02  0.419923D+02
      3  -0.119213D+03 -0.137757D+02 -0.193639D+02
      4  -0.426808D+02  0.832721D+02 -0.136793D+02
      5  -0.260995D+02 -0.193307D+02  0.794193D+02
      6   0.795377D+00  0.216811D+02 -0.363322D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.108581D+02 -0.902731D-01  0.837912D+00  0.549606D+01  0.208901D+01
      2  -0.902731D-01  0.143318D+01  0.143984D+00  0.208901D+01  0.192855D+01
      3   0.837912D+00  0.143984D+00  0.122735D+01 -0.140370D+00 -0.268357D+01
                 6             7             8             9            10 
      1  -0.140370D+00 -0.936352D+01  0.303527D+00 -0.422058D+00  0.291549D+02
      2  -0.268357D+01  0.303527D+00 -0.138225D+01 -0.118652D+01  0.151138D+01
      3  -0.216456D+01 -0.422058D+00 -0.118652D+01 -0.181432D+01 -0.103536D+01
                11            12            13            14            15 
      1   0.151138D+01 -0.103536D+01 -0.594666D+00  0.431755D+01  0.122858D+01
      2   0.213314D+01 -0.641753D+00  0.431755D+01 -0.761858D+00 -0.103882D+00
      3  -0.641753D+00  0.281595D+01  0.122858D+01 -0.103882D+00 -0.797552D+00
                16            17            18            19            20 
      1  -0.361399D+01  0.132903D+01  0.113775D+01  0.778021D+01 -0.637793D-01
      2   0.132903D+01  0.213877D+00 -0.700792D+00 -0.637793D-01 -0.133714D+01
      3   0.113775D+01 -0.700792D+00 -0.387839D+00 -0.642037D+00 -0.491204D+00
                21            22            23            24            25 
      1  -0.642037D+00  0.369251D+01 -0.139901D+01 -0.109076D+01 -0.121985D+02
      2  -0.491204D+00 -0.139901D+01  0.252070D+01 -0.215393D+01 -0.351676D+00
      3  -0.289826D+01 -0.109076D+01 -0.215393D+01 -0.116468D+01  0.566308D+00
                26            27            28            29            30 
      1  -0.351676D+00  0.566308D+00 -0.259303D+02 -0.823763D+00  0.982285D+00
      2  -0.873160D+00 -0.766082D+00 -0.823763D+00 -0.172871D+01  0.141686D+00
      3  -0.766082D+00 -0.155792D+01  0.982285D+00  0.141686D+00 -0.271014D+01
                31            32            33            34            35 
      1   0.210373D+01 -0.459523D+01 -0.126440D+01  0.253300D+01 -0.110739D+01
      2  -0.459523D+01  0.580109D+00  0.369106D+00 -0.110739D+01 -0.268134D-01
      3  -0.126440D+01  0.369106D+00  0.223749D-01 -0.857405D+00 -0.821750D+00
                36            37            38            39            40 
      1  -0.857405D+00  0.118595D+02 -0.310853D+00 -0.725584D+00 -0.372755D+01
      2  -0.821750D+00 -0.310853D+00 -0.242039D+01  0.119321D+01 -0.166818D+01
      3   0.968508D+00 -0.725584D+00  0.119321D+01 -0.189890D+01 -0.209146D+00
                41            42            43            44            45 
      1  -0.166818D+01 -0.209146D+00  0.101849D+02 -0.152680D+01  0.548659D+00
      2  -0.260551D+01  0.241032D+01 -0.152680D+01  0.138714D+01  0.137091D+01
      3   0.241032D+01  0.201361D+01  0.548659D+00  0.137091D+01  0.143074D+01
                46            47            48            49            50 
      1  -0.883818D+01  0.436390D+00  0.289482D+00 -0.274565D+01  0.982828D+00
      2   0.436390D+00  0.195960D+01 -0.569240D+00  0.982828D+00 -0.342777D+01
      3   0.289482D+00 -0.569240D+00  0.317919D+01  0.143597D+01  0.200122D+01
                51            52            53            54            55 
      1   0.143597D+01  0.119611D+02  0.140370D+01 -0.101648D+01 -0.145023D+02
      2   0.200122D+01  0.140370D+01  0.571769D-01  0.148367D+01 -0.208200D+01
      3   0.107300D+01 -0.101648D+01  0.148367D+01  0.699343D+00 -0.455834D+00
                56            57            58            59            60 
      1  -0.208200D+01 -0.455834D+00 -0.584521D+01 -0.733067D+01 -0.566467D+00
      2  -0.361849D+01 -0.156072D+00 -0.733067D+01  0.249221D+01 -0.177622D+01
      3  -0.156072D+00 -0.136379D+01 -0.566467D+00 -0.177622D+01 -0.117420D+00
                61            62            63            64            65 
      1  -0.559184D+01 -0.126081D+01 -0.315980D+01 -0.156687D+01  0.311043D+01
      2  -0.126081D+01 -0.326620D+01  0.511373D+00  0.311043D+01  0.390670D+01
      3  -0.315980D+01  0.511373D+00  0.543026D+01  0.970971D-01  0.407515D+00
                66            67            68            69            70 
      1   0.970971D-01  0.107275D+02  0.655100D+01  0.820685D+00  0.576741D+01
      2   0.407515D+00  0.655100D+01 -0.176751D+01  0.226398D+01  0.137107D+01
      3   0.251299D+01  0.820685D+00  0.226398D+01  0.606236D+00  0.385538D+01
                71            72            73            74            75 
      1   0.137107D+01  0.385538D+01  0.627177D+01 -0.270143D+01 -0.125696D+01
      2   0.331612D+01  0.713134D+00 -0.270143D+01 -0.376993D+01 -0.693054D+00
      3   0.713134D+00 -0.752359D+01 -0.125696D+01 -0.693054D+00 -0.191798D+01
                76            77            78            79            80 
      1  -0.370468D+01 -0.412094D+01 -0.958202D+00 -0.225427D+01 -0.967370D+00
      2  -0.412094D+01 -0.168872D+00 -0.300026D+01 -0.967370D+00 -0.411231D+01
      3  -0.958202D+00 -0.300026D+01 -0.118734D+01 -0.272116D+01 -0.203631D+01
                81            82            83            84            85 
      1  -0.272116D+01  0.535059D+01 -0.191133D+01 -0.613627D+00 -0.382113D+01
      2  -0.203631D+01 -0.191133D+01 -0.356850D+01 -0.554500D+00 -0.576735D+01
      3   0.553142D+01 -0.613627D+00 -0.554500D+00 -0.294440D+01 -0.906660D+00
                86            87            88            89            90 
      1  -0.576735D+01 -0.906660D+00 -0.207897D+01 -0.896824D+00 -0.462590D+01
      2   0.226460D+01 -0.387212D+01 -0.896824D+00 -0.392088D+01 -0.346102D+00
      3  -0.387212D+01 -0.513155D+00 -0.462590D+01 -0.346102D+00  0.463060D+01
                91            92            93            94            95 
      1   0.374860D+01  0.252868D+01  0.425299D+00  0.255111D+00  0.563429D+01
      2   0.252868D+01  0.220802D+01  0.100625D+01  0.563429D+01 -0.331886D+01
      3   0.425299D+00  0.100625D+01  0.143462D+01  0.170715D+01  0.173902D+00
                96            97            98            99           100 
      1   0.170715D+01  0.378974D+01  0.162132D+01  0.202921D+01  0.206948D+01
      2   0.173902D+00  0.162132D+01  0.218152D+01  0.196124D+01 -0.123761D+01
      3   0.153513D+01  0.202921D+01  0.196124D+01 -0.436727D+01  0.154118D+01
               101           102           103           104           105 
      1  -0.123761D+01  0.154118D+01 -0.981243D+00 -0.852054D+00 -0.134773D+01
      2  -0.242347D+00 -0.805951D+00 -0.852054D+00  0.350300D+01  0.925895D-01
      3  -0.805951D+00  0.319392D+00 -0.134773D+01  0.925895D-01 -0.123800D+01
               106           107           108           109           110 
      1   0.217605D+01 -0.204388D+01  0.119286D+01 -0.502385D+01  0.193037D+01
      2  -0.204388D+01  0.101889D+01 -0.227587D+01  0.193037D+01 -0.131138D+01
      3   0.119286D+01 -0.227587D+01  0.304494D+01 -0.347548D+01  0.677310D+00
               111           112           113           114           115 
      1  -0.347548D+01  0.262745D+01 -0.228911D+01  0.125739D+01 -0.693979D+01
      2   0.677310D+00 -0.228911D+01  0.232316D+01 -0.225938D+01  0.255439D+01
      3  -0.184156D+01  0.125739D+01 -0.225938D+01  0.191843D+01 -0.312683D+01
               116           117           118           119           120 
      1   0.255439D+01 -0.312683D+01  0.977829D+00 -0.647183D-01  0.128259D+01
      2  -0.378339D+01  0.198381D+01 -0.647183D-01  0.218059D+01  0.391567D+00
      3   0.198381D+01 -0.740976D+01  0.128259D+01  0.391567D+00  0.286166D+00
               121           122           123           124           125 
      1  -0.380818D+00  0.208092D+01  0.167456D+00  0.294251D+01 -0.114726D+01
      2   0.208092D+01 -0.513287D+01  0.922274D+00 -0.114726D+01  0.297704D+01
      3   0.167456D+00  0.922274D+00  0.996888D-01 -0.860433D+00  0.249670D+01
               126           127           128           129           130 
      1  -0.860433D+00  0.202968D+01  0.576093D+00 -0.200577D+01  0.244564D+00
      2   0.249670D+01  0.576093D+00  0.284556D+00 -0.426537D+00  0.103839D+00
      3   0.447587D+01 -0.200577D+01 -0.426537D+00  0.205078D+01 -0.708982D+00
               131           132           133           134           135 
      1   0.103839D+00 -0.708982D+00 -0.236109D+01 -0.980170D+00  0.266080D+01
      2   0.418588D+00 -0.681802D+00 -0.980170D+00 -0.126708D+01  0.170446D+01
      3  -0.681802D+00  0.224193D+01  0.266080D+01  0.170446D+01 -0.720087D+01
               136           137           138           139           140 
      1  -0.395548D+01  0.113832D+01 -0.198634D+01  0.163857D+01 -0.554378D+00
      2   0.113832D+01 -0.752215D+00  0.587911D+00 -0.554378D+00  0.591711D+00
      3  -0.198634D+01  0.587911D+00 -0.176060D+01  0.110946D+01 -0.621937D+00
               141           142           143           144           145 
      1   0.110946D+01 -0.238682D+01  0.862669D+00 -0.255146D+01 -0.216135D+01
      2  -0.621937D+00  0.862669D+00 -0.119830D+01  0.145933D+01 -0.677819D+00
      3   0.170940D+01 -0.255146D+01  0.145933D+01 -0.448505D+01  0.213126D+01
               146           147           148           149           150 
      1  -0.677819D+00  0.213126D+01 -0.493372D+00 -0.193298D+00  0.765680D+00
      2  -0.391778D+00  0.653635D+00 -0.193298D+00 -0.627656D+00  0.900858D+00
      3   0.653635D+00 -0.221153D+01  0.765680D+00  0.900858D+00 -0.242787D+01
               151           152           153           154           155 
      1   0.209036D+01  0.105772D+01 -0.275473D+01  0.378272D+01 -0.117897D+01
      2   0.105772D+01  0.158794D+01 -0.241479D+01 -0.117897D+01  0.941835D+00
      3  -0.275473D+01 -0.241479D+01  0.750249D+01  0.260711D+01 -0.110069D+01
               156           157           158           159           160 
      1   0.260711D+01 -0.172775D+01  0.739442D+00 -0.138685D+01  0.273106D+01
      2  -0.110069D+01  0.739442D+00 -0.875932D+00  0.953067D+00 -0.128055D+01
      3   0.229086D+01 -0.138685D+01  0.953067D+00 -0.204825D+01  0.292114D+01
               161           162           163           164           165 
      1  -0.128055D+01  0.292114D+01  0.930318D+00 -0.559057D-01 -0.158280D+01
      2   0.164678D+01 -0.215377D+01 -0.559057D-01  0.700568D+00  0.278045D+00
      3  -0.215377D+01  0.510165D+01 -0.158280D+01  0.278045D+00  0.135098D+01
               166           167           168           169           170 
      1   0.153829D+01  0.117389D+01 -0.642344D-01 -0.353797D+01  0.112142D+00
      2   0.117389D+01 -0.457035D+00 -0.758977D+00  0.112142D+00 -0.109208D+01
      3  -0.642344D-01 -0.758977D+00  0.681323D-01  0.242115D+01 -0.117674D+01
               171           172           173           174           175 
      1   0.242115D+01  0.411742D+01 -0.195553D+01  0.657702D+00 -0.398109D+01
      2  -0.117674D+01 -0.195553D+01  0.235052D+01 -0.695797D-01  0.347466D+01
      3  -0.635655D+01  0.657702D+00 -0.695797D-01  0.388657D+00 -0.193687D+00
               176           177           178           179           180 
      1   0.347466D+01 -0.193687D+00  0.448195D+01 -0.434803D+00  0.108324D+01
      2  -0.680937D+01  0.855106D+00 -0.434803D+00  0.205585D+01 -0.109757D+01
      3   0.855106D+00 -0.723285D+00  0.108324D+01 -0.109757D+01  0.268081D+00
               181           182           183           184           185 
      1  -0.377278D+00 -0.657138D+00  0.137722D+01 -0.132775D+01 -0.798871D+00
      2  -0.657138D+00 -0.763697D+00 -0.355758D-01 -0.798871D+00  0.204273D+00
      3   0.137722D+01 -0.355758D-01 -0.940515D+00  0.119219D+00  0.765896D+00
               186           187           188           189           190 
      1   0.119219D+00  0.218681D+01  0.154208D+00 -0.752789D+00 -0.890161D+01
      2   0.765896D+00  0.154208D+00  0.988714D+00 -0.772042D-01  0.765758D+00
      3  -0.602410D-02 -0.752789D+00 -0.772042D-01  0.743670D+01  0.500772D+00
               191           192           193           194           195 
      1   0.765758D+00  0.500772D+00  0.140404D+00 -0.144566D+01  0.616970D-01
      2  -0.215644D+01  0.735769D-01 -0.144566D+01  0.686896D+00  0.396278D+00
      3   0.735769D-01 -0.641573D+00  0.616970D-01  0.396278D+00  0.401985D+00
               196           197           198           199           200 
      1   0.617888D+00 -0.953059D-01 -0.385098D+00  0.321348D+00  0.688420D+00
      2  -0.953059D-01  0.682589D+00  0.586211D+00  0.688420D+00  0.926943D+00
      3  -0.385098D+00  0.586211D+00 -0.289628D+00 -0.106884D+01 -0.283166D+00
               201           202           203           204           205 
      1  -0.106884D+01  0.361115D+00  0.640356D+00 -0.829518D-01 -0.174286D+01
      2  -0.283166D+00  0.640356D+00  0.889641D+00 -0.801152D+00 -0.514359D+00
      3   0.133535D+01 -0.829518D-01 -0.801152D+00  0.640723D+00  0.151512D+01
               206           207           208           209           210 
      1  -0.514359D+00  0.151512D+01  0.243149D+01  0.276938D+01  0.987217D+00
      2  -0.192212D+01  0.197906D+01  0.276938D+01  0.341624D+01  0.745980D+00
      3   0.197906D+01 -0.685312D+01  0.987217D+00  0.745980D+00  0.985542D+00
               211           212           213           214           215 
      1   0.251014D+01  0.343208D+01  0.929815D+00  0.186076D+01  0.151221D+01
      2   0.343208D+01  0.708790D+01  0.205301D+01  0.151221D+01  0.346283D+01
      3   0.929815D+00  0.205301D+01  0.138604D+01  0.132960D+01  0.195546D+01
               216           217           218           219           220 
      1   0.132960D+01  0.215302D+01  0.147029D+00 -0.168179D+01  0.449944D+00
      2   0.195546D+01  0.147029D+00  0.648783D+00  0.689560D-01  0.125652D+01
      3   0.117659D+01 -0.168179D+01  0.689560D-01  0.173220D+01  0.649974D-02
               221           222           223           224           225 
      1   0.125652D+01  0.649974D-02 -0.430005D+01  0.113746D+00  0.342629D+01
      2  -0.177759D+00 -0.506487D+00  0.113746D+00 -0.923438D+00 -0.602957D-02
      3  -0.506487D+00  0.133376D+00  0.342629D+01 -0.602957D-02 -0.625427D+01
               226           227           228           229           230 
      1   0.196289D+01 -0.183688D+01  0.912216D+00 -0.384565D+01  0.344448D+01
      2  -0.183688D+01  0.186046D+01 -0.542345D+00  0.344448D+01 -0.601922D+01
      3   0.912216D+00 -0.542345D+00  0.853505D+00 -0.103748D+01  0.202852D+01
               231           232           233           234           235 
      1  -0.103748D+01  0.192795D+01 -0.940898D+00  0.167972D+01  0.510190D+01
      2   0.202852D+01 -0.940898D+00  0.218003D+01 -0.139736D+01  0.257807D+01
      3  -0.153511D+01  0.167972D+01 -0.139736D+01  0.114518D+01  0.183941D+01
               236           237           238           239           240 
      1   0.257807D+01  0.183941D+01  0.556141D+01  0.369642D+01  0.163657D+01
      2   0.200086D+01  0.913207D+00  0.369642D+01  0.359128D+01  0.190392D+01
      3   0.913207D+00  0.139726D+01  0.163657D+01  0.190392D+01  0.164854D+01
               241           242           243           244           245 
      1   0.366505D+01  0.148166D+01  0.256285D+01  0.349114D+00 -0.819215D+00
      2   0.148166D+01  0.201451D+01  0.142346D+01 -0.819215D+00 -0.524447D+00
      3   0.256285D+01  0.142346D+01  0.169765D+01  0.147358D+01  0.105075D+00
               246           247           248           249           250 
      1   0.147358D+01 -0.124876D+01 -0.106936D+01  0.224269D+00  0.260835D+01
      2   0.105075D+00 -0.106936D+01 -0.622172D+00  0.111267D+01  0.225460D+00
      3  -0.118895D+01  0.224269D+00  0.111267D+01 -0.126778D+01 -0.198215D+01
               251           252           253           254           255 
      1   0.225460D+00 -0.198215D+01  0.859852D+01 -0.239634D+00 -0.185336D+01
      2   0.140882D+01 -0.107684D+01 -0.239634D+00 -0.366014D+01 -0.794368D+00
      3  -0.107684D+01  0.620079D+01 -0.185336D+01 -0.794368D+00 -0.112142D+01
               256           257           258           259           260 
      1  -0.451468D+01 -0.395327D+01 -0.121624D+01 -0.620209D+01 -0.157694D+01
      2  -0.395327D+01  0.380313D+01 -0.148931D+01 -0.157694D+01 -0.272436D+01
      3  -0.121624D+01 -0.148931D+01 -0.185645D+01 -0.163567D+01 -0.147010D+01
               261           262           263           264           265 
      1  -0.163567D+01 -0.107100D+01  0.144923D+01  0.477227D+00  0.170894D+01
      2  -0.147010D+01  0.144923D+01 -0.200341D+01 -0.458442D+00 -0.278913D+01
      3   0.385253D+01  0.477227D+00 -0.458442D+00 -0.426964D+00 -0.520753D+00
               266           267           268           269           270 
      1  -0.278913D+01 -0.520753D+00 -0.303340D+00  0.567883D+00 -0.224161D+00
      2   0.884913D+01  0.161828D+01  0.567883D+00 -0.138630D+01  0.513810D+00
      3   0.161828D+01  0.153166D+01 -0.224161D+00  0.513810D+00  0.365746D+00
               271           272           273           274           275 
      1  -0.153046D+02 -0.221027D+01  0.251230D+00  0.191486D+00 -0.119452D+01
      2  -0.221027D+01 -0.143431D+01 -0.128266D+00 -0.119452D+01 -0.574338D+00
      3   0.251230D+00 -0.128266D+00 -0.102729D+01  0.984851D-01  0.237212D+00
               276           277           278           279           280 
      1   0.984851D-01  0.220846D+01  0.494037D+00 -0.125225D+01  0.270843D-01
      2   0.237212D+00  0.494037D+00  0.659315D+00 -0.389956D-01 -0.944846D+00
      3   0.248416D+00 -0.125225D+01 -0.389956D-01  0.139240D-01  0.349795D+00
               281           282           283           284           285 
      1  -0.944846D+00  0.349795D+00 -0.139985D+01 -0.132491D-01 -0.271019D-01
      2   0.221600D+01  0.198196D+00 -0.132491D-01 -0.864309D+01  0.892253D-01
      3   0.198196D+00  0.432976D+00 -0.271019D-01  0.892253D-01 -0.886180D+00
               286           287           288           289           290 
      1   0.102051D+01  0.278930D+00  0.121506D+00 -0.527462D+00  0.232419D+00
      2   0.278930D+00  0.132261D+01 -0.843950D+00  0.232419D+00  0.515332D+00
      3   0.121506D+00 -0.843950D+00 -0.976977D-01 -0.636795D+00  0.164644D+00
               291           292           293           294           295 
      1  -0.636795D+00  0.109259D+01  0.416988D+00  0.153099D+00 -0.187876D+01
      2   0.164644D+00  0.416988D+00  0.254956D+00 -0.438401D+00 -0.318659D+00
      3   0.300112D+00  0.153099D+00 -0.438401D+00  0.655001D+00 -0.723200D+00
               296           297 
      1  -0.318659D+00 -0.723200D+00
      2  -0.128304D+01 -0.255871D+00
      3  -0.255871D+00 -0.637515D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.140813D+01 -0.221054D+01  0.102814D+01 -0.665266D+01 -0.222302D+01
      2   0.271060D+01 -0.235252D+01  0.976138D+01 -0.191138D+01  0.133312D+01
      3   0.151723D+02 -0.154461D+01  0.290655D+01  0.809584D+01 -0.134767D+01
                 6             7             8             9            10 
      1  -0.217610D+01 -0.165815D+01  0.205776D+01  0.117193D+00 -0.118637D+01
      2  -0.327611D+01 -0.488357D+01 -0.123993D+01  0.202778D+01  0.164868D+00
      3   0.230383D+01  0.127992D+02  0.512769D+00  0.290430D+01 -0.283246D+02
                11            12            13            14            15 
      1   0.169188D+00  0.174190D+01  0.236031D+01  0.440216D+01 -0.817415D+01
      2   0.605260D+00 -0.352030D+01  0.408050D+01  0.445902D+00  0.118591D+01
      3  -0.127631D+01  0.652207D+00  0.113157D+02 -0.141584D+01 -0.615486D+00
                16            17            18            19            20 
      1  -0.302754D+01 -0.228580D+01 -0.502276D+01 -0.266336D+00  0.155112D+01
      2  -0.228025D+02 -0.127205D+01 -0.328377D+01 -0.350783D+01 -0.224658D+01
      3  -0.709228D+00 -0.139780D+01 -0.173224D+01 -0.878196D+01 -0.163768D+01
                21            22            23            24            25 
      1  -0.111020D+01  0.559241D+01 -0.183328D+01 -0.358362D+01  0.460628D+01
      2   0.308429D+01 -0.369008D+01 -0.159382D+01  0.889789D+00 -0.255215D+01
      3   0.252463D+01  0.812038D+01  0.130029D+01 -0.272101D+01  0.148828D+02
                26            27            28            29            30 
      1   0.214418D+01 -0.138606D+01  0.111187D+01  0.483844D+00 -0.249026D+01
      2   0.967698D+00 -0.337386D+00  0.952012D+00  0.210314D+01 -0.282768D+01
      3  -0.849227D+00 -0.429863D+01  0.237901D+02  0.817804D+00 -0.256170D+01
                31            32            33            34            35 
      1  -0.131044D+01  0.453108D+01 -0.814934D+01 -0.490295D+01 -0.184671D+01
      2   0.382391D+01 -0.303319D-01  0.254903D+01 -0.237744D+02  0.289449D+01
      3   0.868876D+01  0.535544D+01  0.796038D+00 -0.518400D+01 -0.196317D+01
                36            37            38            39            40 
      1  -0.328172D+01 -0.164577D+01 -0.124871D+01 -0.130615D+01 -0.575523D+01
      2  -0.226635D+01 -0.316494D+00 -0.252661D+01  0.887379D+01 -0.259839D+01
      3   0.219654D+01 -0.117781D+02 -0.681284D+00  0.290534D+01  0.138046D+02
                41            42            43            44            45 
      1   0.100275D+01  0.715001D+00 -0.185624D+01  0.408967D+01  0.235750D+01
      2   0.135925D+01 -0.195983D+01 -0.759448D+01 -0.787269D+00  0.212873D+01
      3  -0.783940D+00  0.207108D+01 -0.915193D+01  0.330471D+01  0.110064D+01
                46            47            48            49            50 
      1   0.681301D+00  0.178163D+01  0.257397D+01  0.789152D+01  0.112911D+01
      2  -0.122647D+01 -0.211072D+01  0.337919D+01 -0.308753D+01 -0.156336D+01
      3   0.117062D+02 -0.177243D+01 -0.262367D+00  0.132888D+02  0.153314D+01
                51            52            53            54            55 
      1  -0.272378D+01  0.255473D+01  0.368693D+01  0.655165D+00 -0.147224D+01
      2   0.702290D+00 -0.293304D+01  0.107882D+01 -0.910482D+00 -0.410370D+01
      3  -0.393197D+01 -0.979949D+01 -0.186156D+01 -0.944540D+00  0.154181D+02
                56            57            58            59            60 
      1   0.975669D-01 -0.711825D+00  0.992536D-02 -0.546854D+01 -0.111243D+01
      2   0.469368D+00 -0.988805D+00 -0.214277D+01 -0.110496D+02  0.963701D+00
      3   0.996227D+01  0.386136D+00  0.359934D+02 -0.735258D+00  0.646254D+01
                61            62            63            64            65 
      1  -0.429415D+00  0.425962D+01  0.492957D+01  0.186187D+01  0.976732D+00
      2  -0.212100D+02  0.305580D+00  0.206855D+02  0.455547D+01  0.166807D+01
      3   0.926653D+01  0.117886D+02  0.209132D+01 -0.197673D+02 -0.203152D+02
                66            67            68            69            70 
      1  -0.178370D+01 -0.492947D+00 -0.187809D+01 -0.228768D+01  0.348423D+00
      2   0.134528D+02  0.509127D+01  0.109679D+02  0.761347D+00  0.123848D+02
      3  -0.181607D+01 -0.254581D+02  0.683191D+01 -0.940152D+01 -0.100339D+02
                71            72            73            74            75 
      1   0.455962D+01  0.467241D+01  0.244374D+01  0.240894D+01  0.485750D+01
      2   0.365487D+01 -0.346999D+02 -0.134739D+01 -0.407355D+01 -0.496434D+01
      3  -0.138731D+02 -0.292237D+01  0.266145D+02  0.379729D+01  0.477453D+00
                76            77            78            79            80 
      1   0.307637D+01  0.940402D+01  0.200524D+01  0.679403D+01  0.871984D+01
      2  -0.513133D+01 -0.110893D+02 -0.423884D+01 -0.119885D+02 -0.699792D+01
      3   0.104231D+02 -0.741932D+01  0.880329D+01  0.111605D+01  0.122734D+02
                81            82            83            84            85 
      1  -0.121713D+02 -0.434725D+00 -0.329786D+00  0.244474D+00 -0.264310D+00
      2   0.188310D+02 -0.627424D+01 -0.239194D+01 -0.154360D+02 -0.421545D+01
      3   0.312696D+01  0.100612D+02  0.189411D+02  0.295986D+01  0.383743D+02
                86            87            88            89            90 
      1   0.118852D+01 -0.244411D+01  0.578397D+00  0.107374D+01 -0.111043D+01
      2  -0.216102D+02 -0.131993D+01 -0.310252D+02 -0.164463D+01  0.272187D+02
      3  -0.141177D+02  0.223906D+02  0.462869D+01  0.221096D+02  0.208793D+01
                91            92            93            94            95 
      1   0.104668D+01  0.422088D+00  0.199026D+01  0.206570D+01 -0.140828D+01
      2  -0.396570D+01 -0.361045D+01 -0.814477D+00 -0.380010D+01 -0.351249D+01
      3  -0.134562D+01  0.142535D+01  0.299336D+01  0.322299D+02 -0.157697D+02
                96            97            98            99           100 
      1  -0.317813D+01  0.302000D+01  0.516729D+01 -0.168485D+01 -0.795674D+00
      2  -0.693425D+01 -0.162883D+02 -0.695670D+01  0.159141D+02  0.142581D+01
      3  -0.388252D+00  0.154004D+01  0.543267D+01  0.515728D+01  0.126981D+02
               101           102           103           104           105 
      1  -0.539976D+01 -0.487621D+01 -0.636591D+00 -0.325912D+00  0.169293D+01
      2   0.324916D+01  0.464527D+01  0.195297D+01  0.140489D+01  0.114331D+02
      3  -0.149326D+02 -0.484100D+01 -0.775272D+01  0.334960D+01  0.272298D+01
               106           107           108           109           110 
      1  -0.643149D+01  0.853033D+00 -0.379938D+01  0.427970D+01  0.283485D+01
      2  -0.417707D+01  0.948438D+01 -0.173893D+02  0.101793D+02 -0.279495D+01
      3  -0.827315D+01  0.986470D+01 -0.600961D+01 -0.717095D+00 -0.410391D+01
               111           112           113           114           115 
      1   0.379231D+01 -0.348307D+00  0.806974D+00 -0.630481D+01  0.386919D+01
      2   0.897614D+01 -0.100304D+01  0.790011D+01 -0.100853D+02  0.470711D+01
      3   0.637005D+00 -0.379685D+01  0.108970D+02 -0.805426D+01  0.100480D+02
               116           117           118           119           120 
      1   0.470834D+01  0.111665D+02 -0.370448D+01  0.296997D+01  0.151788D+00
      2  -0.646556D+01  0.303141D+02 -0.585352D+01 -0.635590D+00  0.152896D+00
      3  -0.168020D+02  0.567553D+01 -0.937710D+00  0.698787D+01  0.414065D+01
               121           122           123           124           125 
      1   0.136973D+01 -0.561922D+01 -0.299920D+01 -0.240596D+01  0.713132D+01
      2  -0.199267D+01 -0.520741D+01 -0.166450D+01 -0.193986D+01 -0.726298D+01
      3   0.757020D+01 -0.123586D+02  0.353511D+01 -0.245432D+01  0.934231D+01
               126           127           128           129           130 
      1  -0.677977D+01 -0.162092D+01 -0.188186D+01  0.976736D+00 -0.590653D-01
      2  -0.150752D+02  0.463443D+01  0.833901D+00 -0.119660D+01  0.216675D+00
      3   0.818280D+01 -0.168527D+00 -0.903619D+00  0.765544D+00  0.117127D+01
               131           132           133           134           135 
      1  -0.123870D+01 -0.320182D+00  0.305639D+01  0.556056D+01 -0.470261D+01
      2  -0.122071D+00  0.532745D+00 -0.503308D+01 -0.648427D+00 -0.164614D+01
      3  -0.406558D+00  0.310327D+00  0.843279D+00  0.221367D+01 -0.156104D+01
               136           137           138           139           140 
      1  -0.263670D+01  0.300937D+01 -0.712718D+00  0.958386D+00 -0.126096D+01
      2  -0.854405D+01  0.197278D+01 -0.122924D+01  0.221284D+01 -0.633551D+00
      3   0.626368D+00 -0.160012D+01  0.745272D+00  0.919063D+00  0.110172D+01
               141           142           143           144           145 
      1  -0.727627D+00 -0.173006D+01  0.394806D+01 -0.271619D+01  0.174682D+01
      2  -0.533382D-01 -0.386797D+01  0.220995D+00  0.831911D+00  0.438027D+01
      3  -0.291565D+00  0.762034D+00 -0.261312D+01  0.173209D+01  0.281345D+01
               146           147           148           149           150 
      1  -0.991712D+00 -0.221367D+01  0.113549D+01  0.144157D+00 -0.369326D+01
      2   0.523999D+00 -0.104844D+01  0.390648D+00 -0.100378D+00  0.606410D+00
      3  -0.654981D-01 -0.207940D+01  0.182269D+01 -0.330390D+00 -0.648711D+00
               151           152           153           154           155 
      1  -0.159445D+01  0.242318D+01  0.542536D+01  0.248332D+01  0.143072D+01
      2  -0.438111D+01 -0.285464D+00 -0.119627D+01 -0.557261D+01  0.416722D+00
      3  -0.225193D+01  0.915757D+00  0.180684D+01 -0.508674D+01 -0.723225D+00
               156           157           158           159           160 
      1   0.217996D+01 -0.133401D+01  0.197104D+00 -0.374737D+01  0.219047D+01
      2  -0.617423D+00  0.932708D+00  0.141923D+00 -0.961990D+00 -0.321714D+01
      3  -0.238971D+01  0.388415D+01  0.679967D+00  0.944395D+00 -0.293747D+01
               161           162           163           164           165 
      1   0.152293D+01  0.396416D+01 -0.147145D+01 -0.624817D+00  0.114885D+01
      2  -0.186758D+00  0.203294D+01 -0.583221D+01  0.522474D+00  0.517250D+01
      3  -0.133062D+01 -0.173798D+01 -0.159641D+01 -0.341117D+01  0.755566D+00
               166           167           168           169           170 
      1   0.301404D-01 -0.301968D+00 -0.787459D+00  0.235251D+01  0.216423D+01
      2   0.467706D+00 -0.147405D+01  0.643510D+00  0.217480D+01 -0.388302D+01
      3  -0.316714D+01  0.411081D+00  0.197085D+01  0.302843D+01  0.390220D+01
               171           172           173           174           175 
      1  -0.666473D+01  0.115789D+01 -0.111822D+01  0.144758D+01 -0.166528D+01
      2  -0.210026D+02  0.477710D+01 -0.154461D+01  0.331241D+01 -0.252351D+01
      3   0.229632D+00  0.118661D+01 -0.702043D+01 -0.213214D+00 -0.420106D+01
               176           177           178           179           180 
      1   0.376401D+01 -0.346236D+01  0.158564D+01 -0.124522D+01  0.111710D+01
      2   0.585582D+01 -0.355782D+01  0.351035D+01 -0.418506D+01  0.853066D+00
      3   0.186935D+02 -0.216175D+01 -0.306647D+01 -0.663765D+01  0.200577D+01
               181           182           183           184           185 
      1  -0.203838D+01 -0.133261D+01  0.930111D+00 -0.825782D+00 -0.326701D+00
      2   0.758597D+01  0.531924D+00 -0.463652D+01  0.158693D+01  0.372171D+01
      3   0.201163D+01  0.225440D+01  0.296174D+00  0.500465D+01 -0.814882D+00
               186           187           188           189           190 
      1  -0.467850D+00  0.150743D+01  0.351286D+01 -0.423750D+01 -0.131993D+00
      2  -0.689106D+00 -0.892615D+01 -0.110497D+01  0.308767D+02 -0.112396D+01
      3  -0.299651D+01 -0.550115D-01 -0.346440D+01 -0.482054D-01 -0.271872D+02
               191           192           193           194           195 
      1   0.239420D+00  0.222792D+01 -0.280991D-01 -0.104011D+01 -0.126091D+01
      2   0.549220D+00 -0.184139D+00  0.612565D+00  0.108624D+01  0.243677D+00
      3   0.621957D+01  0.951269D+00  0.683232D+01 -0.425742D+01 -0.136766D+01
               196           197           198           199           200 
      1   0.223883D+01  0.329449D+00  0.660602D+00  0.234641D+01 -0.879413D-01
      2  -0.358576D+01  0.131155D+01 -0.957951D+00 -0.364404D+01 -0.105482D+01
      3   0.115136D+01 -0.246537D+01 -0.293551D+01 -0.270325D+01 -0.316582D+01
               201           202           203           204           205 
      1  -0.290758D+01  0.216301D+00  0.123362D+01 -0.230927D+01 -0.298596D+01
      2   0.487513D+01 -0.254009D+00 -0.237430D+01  0.159367D+01  0.884027D+00
      3  -0.579019D+00 -0.528521D+00 -0.176340D+01  0.237320D+01 -0.216153D+01
               206           207           208           209           210 
      1  -0.339556D+00  0.155268D+02 -0.280034D+01 -0.223753D+01 -0.386864D+01
      2   0.629595D+01 -0.230500D+02  0.366676D+01  0.315649D+01  0.479004D+01
      3   0.681599D+01 -0.506609D+01 -0.484645D+01 -0.875991D+01 -0.637992D+00
               211           212           213           214           215 
      1  -0.349145D+01 -0.583924D+01 -0.597745D+01 -0.355993D+01 -0.355300D+01
      2   0.331572D+01  0.783795D+01  0.598939D+01  0.372569D+01  0.703400D+01
      3  -0.353083D+01 -0.194248D+02 -0.514791D+01 -0.858741D+00 -0.102505D+02
               216           217           218           219           220 
      1  -0.360491D+01  0.279905D+00 -0.509023D+00 -0.491730D-01  0.485164D-01
      2   0.447864D+01 -0.952934D+01  0.298693D+00  0.113273D+02  0.110958D-01
      3  -0.457526D+01 -0.705150D+00 -0.461815D+01 -0.404082D+00 -0.544721D+01
               221           222           223           224           225 
      1   0.501874D-01 -0.830715D+00 -0.577824D+00  0.255731D+01  0.936437D+00
      2  -0.269677D+01  0.662189D+00  0.162192D+02  0.935555D-03 -0.368349D+02
      3   0.104663D+01  0.247028D+01 -0.768321D+00  0.603293D+01 -0.246366D+00
               226           227           228           229           230 
      1  -0.756582D+00  0.731057D+00  0.459525D+00  0.868372D+00 -0.254329D+01
      2   0.456330D+01 -0.259775D+01  0.541784D+01 -0.401000D+01  0.108733D+02
      3   0.990044D+01 -0.115866D+02  0.312502D+01 -0.154244D+02  0.344153D+02
               231           232           233           234           235 
      1  -0.168179D+01 -0.304162D+00  0.183644D+01  0.158832D+00  0.275566D+00
      2  -0.954796D+01  0.711070D+01 -0.757395D+01  0.589342D+01  0.840375D+01
      3  -0.113433D+02  0.446265D+01 -0.126920D+02  0.740011D+01 -0.127231D+02
               236           237           238           239           240 
      1   0.872366D+00 -0.950378D+00  0.436739D+00  0.121142D+01 -0.152710D+01
      2   0.434083D+01  0.938951D+01  0.697081D+01  0.981950D+01  0.100189D+02
      3  -0.131435D+02 -0.492813D+01 -0.175060D+02 -0.207264D+02 -0.106047D+02
               241           242           243           244           245 
      1  -0.548116D+00  0.153281D+01 -0.707522D+00  0.437332D+00 -0.419908D+00
      2   0.116253D+02  0.751656D+01  0.901834D+01 -0.595708D+01 -0.666168D-01
      3  -0.698212D+01 -0.121436D+02 -0.757786D+01 -0.261084D+01 -0.200073D+01
               246           247           248           249           250 
      1  -0.869381D+00 -0.704999D-01  0.106112D+00 -0.924231D+00 -0.131661D+01
      2   0.386402D+01  0.157643D+00 -0.283073D+01  0.445555D+01  0.149073D+01
      3  -0.572270D+00 -0.108606D+01 -0.125030D+01  0.302234D+01 -0.110331D+01
               251           252           253           254           255 
      1   0.267361D+01  0.341188D+01 -0.252580D+01  0.121481D+01 -0.258713D+01
      2   0.367529D+01 -0.197842D+02  0.154002D+02  0.406132D+01  0.679997D+01
      3   0.381404D+01 -0.220984D+01 -0.161747D+02 -0.168421D+02 -0.772593D-01
               256           257           258           259           260 
      1  -0.143231D+01 -0.678821D+01 -0.394133D+01 -0.949041D+00  0.140082D+01
      2   0.505920D+01  0.551218D+01  0.649260D+01  0.450277D+01  0.549396D+01
      3  -0.766497D+01  0.217839D+02 -0.433893D+01  0.967425D+00 -0.740971D+01
               261           262           263           264           265 
      1   0.955315D+01  0.989191D+00 -0.176969D+01  0.545373D+00 -0.287589D+01
      2  -0.191258D+02 -0.566114D+00  0.192826D+00  0.112382D+01 -0.110811D+00
      3  -0.471914D+01  0.309722D+01 -0.472714D+01 -0.180918D+01 -0.451277D+01
               266           267           268           269           270 
      1   0.903402D+01 -0.170059D+01  0.557014D+00 -0.131433D+01  0.100381D+01
      2  -0.278947D+01 -0.479043D+01  0.409953D+00 -0.173692D+01 -0.649243D+00
      3   0.270105D+02  0.491000D+01  0.145280D+01 -0.476781D+01  0.155407D+01
               271           272           273           274           275 
      1   0.120786D+01  0.565900D+00 -0.228641D+01  0.921027D+00  0.734579D+00
      2  -0.822774D+01 -0.317812D+00  0.787602D+01 -0.920079D+00 -0.157761D+01
      3   0.150853D+02 -0.576752D+01 -0.111593D+01 -0.369287D+01 -0.489050D+00
               276           277           278           279           280 
      1  -0.234537D+00 -0.223657D+01  0.620347D+00 -0.186601D+00  0.157923D+01
      2  -0.567859D+00  0.461952D+01 -0.899621D-01 -0.157773D+00 -0.122863D+01
      3   0.962299D+00 -0.126806D+01  0.200557D+01  0.192637D+01 -0.571930D+01
               281           282           283           284           285 
      1  -0.974662D+00  0.176198D+01 -0.469596D+00  0.545850D+01 -0.418368D+01
      2  -0.101541D+01 -0.133033D+01 -0.827202D+00 -0.239622D+00  0.299161D+01
      3   0.911371D+01 -0.317849D+00  0.561442D+01 -0.322145D+02  0.879688D+00
               286           287           288           289           290 
      1   0.788686D+00 -0.135334D+01  0.485103D+00 -0.184904D+01 -0.622801D+00
      2  -0.170778D+01  0.291243D+01  0.532181D+00  0.444875D+01  0.255430D-01
      3  -0.137712D+01  0.448540D+01 -0.332412D+01  0.161011D+01  0.112863D+01
               291           292           293           294           295 
      1   0.665022D+00 -0.295898D+00 -0.248459D+01  0.958927D+00 -0.151043D+00
      2  -0.194110D+01  0.133517D+01  0.223532D+01 -0.306810D+01 -0.200341D+01
      3   0.120465D+01  0.114252D+01  0.605698D+00 -0.188661D+01  0.148679D+01
               296           297 
      1   0.335554D+01 -0.119068D+02
      2   0.841247D-01  0.257015D+02
      3  -0.429268D+01  0.730616D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.110363D+01 -0.815419D+01  0.227694D+02  0.162605D+02 -0.290134D+01
      2   0.643082D+01  0.335490D+01 -0.872619D+01 -0.386958D+01  0.487871D+01
      3  -0.532720D+01  0.479929D+01 -0.140432D+02 -0.123909D+02 -0.197738D+01
      4  -0.154260D+01  0.243876D+01  0.205424D+00  0.882142D+01  0.445523D+01
      5   0.205876D+02  0.103763D+01 -0.711480D+01 -0.510085D+01 -0.225128D+01
      6  -0.465400D+00 -0.316573D+01  0.854880D+00 -0.746149D+00  0.360602D+01
                 6             7             8             9            10 
      1  -0.168535D+02 -0.233260D+02 -0.101548D+02  0.524692D+01  0.476321D+02
      2   0.131962D+01  0.333887D+01  0.181859D+01  0.412677D+01 -0.182350D+02
      3   0.155339D+02  0.199871D+02  0.833622D+01 -0.937369D+01 -0.293971D+02
      4  -0.398014D+01  0.391408D+01 -0.255438D+01 -0.495338D+01 -0.123824D+02
      5  -0.360618D+01  0.916873D+01 -0.451985D+01  0.636935D+01 -0.541755D+01
      6   0.119271D+02 -0.716058D+01  0.620297D+01  0.151692D+02  0.231029D+01
                11            12            13            14            15 
      1   0.775076D+01 -0.876111D+00  0.100224D+02 -0.105091D+01  0.654965D+01
      2  -0.699347D+01  0.276027D+01 -0.945096D+01  0.646171D+01 -0.119821D+01
      3  -0.757291D+00 -0.188416D+01 -0.571428D+00 -0.541080D+01 -0.535144D+01
      4   0.226062D+01 -0.321998D+01  0.173241D+02 -0.505730D+01 -0.511424D+00
      5  -0.382779D+01  0.623267D+01  0.108088D+02 -0.431336D+00 -0.160593D+01
      6  -0.363034D-01 -0.662932D+01 -0.484695D+01  0.424291D+01  0.861233D+01
                16            17            18            19            20 
      1  -0.983571D+01  0.721679D+01 -0.195933D+02 -0.742597D+00  0.527000D+01
      2  -0.612148D+00  0.505921D+01  0.205099D+01 -0.166640D+01 -0.188130D+01
      3   0.104479D+02 -0.122760D+02  0.175423D+02  0.240899D+01 -0.338870D+01
      4   0.146899D+02  0.134061D+01 -0.230941D+01  0.435322D+01 -0.238544D+00
      5  -0.147592D+02 -0.181370D+01 -0.451439D+01 -0.179412D+02  0.241099D+01
      6  -0.453521D+01  0.602565D+00 -0.581873D+01  0.344174D+01  0.505215D+01
                21            22            23            24            25 
      1  -0.271835D+02 -0.927725D+01 -0.530405D+01 -0.614673D+01  0.238810D+02
      2   0.777970D+01 -0.154315D+01  0.677227D+01 -0.345527D+00 -0.856002D+00
      3   0.194038D+02  0.108204D+02 -0.146821D+01  0.649226D+01 -0.230250D+02
      4   0.206508D+01  0.359636D+01 -0.132586D+01  0.370067D+01  0.454111D+01
      5  -0.189828D+01  0.138120D+01  0.186515D+01  0.574661D+01  0.120729D+02
      6   0.493880D+01  0.294281D+01  0.245612D+01  0.788196D+01  0.101857D+02
                26            27            28            29            30 
      1  -0.850752D+01  0.893114D+01  0.131930D+02 -0.634130D-01  0.822809D+00
      2   0.109026D+01 -0.252746D+01 -0.240948D+01  0.490168D+01  0.987260D+00
      3   0.741726D+01 -0.640368D+01 -0.107835D+02 -0.483827D+01 -0.181007D+01
      4   0.391698D+01  0.738688D+01  0.242644D+02  0.287899D+01 -0.165917D+01
      5   0.545927D+01 -0.470931D+01  0.191589D+01 -0.102097D+01  0.718457D+01
      6   0.264634D+01  0.109198D+02  0.330181D+01 -0.137413D+01  0.391953D+01
                31            32            33            34            35 
      1   0.362714D+00 -0.246151D+01  0.819576D+01 -0.893959D+01  0.993212D+01
      2   0.576374D+01  0.513311D+01 -0.200412D+01  0.188546D+01  0.380872D+01
      3  -0.612646D+01 -0.267160D+01 -0.619164D+01  0.705413D+01 -0.137408D+02
      4   0.147936D+02 -0.238567D+00  0.186257D+01  0.113206D+02  0.500892D+01
      5   0.118035D+02  0.571777D+00  0.179600D+01 -0.178155D+02  0.214157D+01
      6  -0.120227D+01  0.401492D+01  0.603902D+01 -0.155024D+01  0.864063D+00
                36            37            38            39            40 
      1  -0.227654D+02  0.111349D+02 -0.138182D+02  0.250983D+02  0.473643D+01
      2   0.354832D+01  0.323699D+00  0.120680D+02 -0.122797D+02  0.440204D+01
      3   0.192171D+02 -0.114586D+02  0.175019D+01 -0.128186D+02 -0.913847D+01
      4   0.857119D-01 -0.102847D+02 -0.105225D+01  0.423966D+01  0.150283D+02
      5  -0.311703D+01  0.147611D+02  0.204882D+01 -0.888462D+01 -0.244655D+01
      6  -0.808088D+01 -0.110158D+00 -0.547283D+01  0.551592D+01 -0.612176D+00
                41            42            43            44            45 
      1  -0.104985D+02 -0.790246D+01 -0.175006D+02 -0.560242D+01  0.977620D+01
      2   0.169343D+02 -0.101548D+02  0.132149D+01 -0.385268D+01 -0.123616D+01
      3  -0.643581D+01  0.180572D+02  0.161791D+02  0.945510D+01 -0.854004D+01
      4   0.669387D+01 -0.313429D+01 -0.436615D+01 -0.270947D+01 -0.637158D+01
      5  -0.173368D+01 -0.290138D+01  0.745057D+01 -0.577917D+01  0.842435D+01
      6  -0.614427D+01  0.606368D+01 -0.987641D+01  0.144732D+01  0.951026D+01
                46            47            48            49            50 
      1  -0.950018D+01  0.104651D+02 -0.265984D+02 -0.682888D+01 -0.159631D+02
      2   0.248370D+01 -0.905333D+01  0.861207D+01 -0.507171D+01  0.226467D+02
      3   0.701647D+01 -0.141177D+01  0.179864D+02  0.119006D+02 -0.668357D+01
      4   0.102857D+02  0.572670D-01  0.412269D+01  0.566079D+01 -0.623905D+01
      5  -0.152698D+02  0.482601D+01 -0.327704D+01  0.512938D+01  0.164779D+01
      6   0.404373D+01  0.511525D+01 -0.413859D+01 -0.355584D+00 -0.557023D+01
                51            52            53            54            55 
      1   0.221863D+01  0.358402D+02 -0.449130D+01  0.993694D+01 -0.363789D+02
      2  -0.981982D+01 -0.855292D+01 -0.101786D+01 -0.526631D+01  0.119768D+02
      3   0.760119D+01 -0.272872D+02  0.550916D+01 -0.467063D+01  0.244021D+02
      4   0.111043D+01 -0.413102D+01  0.193749D+00  0.778270D+01  0.176915D+01
      5   0.611858D+01  0.423111D+01  0.664749D+01 -0.657626D+01 -0.320141D+01
      6   0.402072D+01  0.116808D+02 -0.229508D+01  0.831329D+01  0.208718D+01
                56            57            58            59            60 
      1  -0.967404D+01 -0.401855D+01 -0.402265D+02 -0.297382D+02 -0.454983D+01
      2   0.729018D+01 -0.118666D+01  0.281894D+02  0.279276D+01  0.485251D+01
      3   0.238386D+01  0.520521D+01  0.120370D+02  0.269454D+02 -0.302682D+00
      4  -0.253154D+02 -0.217890D+00 -0.510492D+02  0.264212D+02 -0.128772D+02
      5  -0.634024D+00 -0.104871D+02 -0.431170D+01 -0.131430D+02 -0.185564D+00
      6   0.684590D+00  0.153832D+01 -0.542392D+00  0.410172D+01  0.460146D-02
                61            62            63            64            65 
      1  -0.302617D+02 -0.751609D+01 -0.773288D+01 -0.546843D+02  0.157013D+02
      2   0.467283D+01  0.734849D+01  0.124629D+02  0.344374D+02 -0.294843D+01
      3   0.255889D+02  0.167601D+00 -0.472998D+01  0.202469D+02 -0.127529D+02
      4  -0.500215D+01 -0.229430D+02  0.655369D+01  0.172665D+02  0.287655D+02
      5  -0.248642D+02  0.367542D+01  0.396770D+02 -0.414523D+00  0.350443D+01
      6   0.384940D+01 -0.176677D+01 -0.734100D+01  0.871517D+00 -0.209891D+01
                66            67            68            69            70 
      1  -0.155036D+01  0.521711D+02  0.507762D+02  0.683100D-01  0.219671D+02
      2  -0.203007D+01 -0.220957D+02 -0.280535D+02  0.210898D+01 -0.874605D+01
      3   0.358043D+01 -0.300753D+02 -0.227226D+02 -0.217729D+01 -0.132211D+02
      4   0.305906D+01  0.463154D+02 -0.143434D+02  0.170944D+02  0.675164D+01
      5   0.184625D+02  0.770180D+01  0.193454D+02  0.305593D+01  0.353202D+02
      6   0.329640D+01  0.277638D+01  0.482669D+01 -0.633943D+00  0.299922D+01
                71            72            73            74            75 
      1   0.190713D+01  0.354338D+02  0.540431D+02 -0.702525D+01 -0.807697D+01
      2   0.361764D+01 -0.895384D+01 -0.375157D+02 -0.831688D+01 -0.683610D-01
      3  -0.552477D+01 -0.264800D+02 -0.165274D+02  0.153421D+02  0.814533D+01
      4   0.225422D+02  0.584801D+01 -0.422713D+01 -0.320649D+02 -0.849116D+01
      5   0.504422D+01 -0.584369D+02 -0.784476D+01 -0.606111D+01 -0.131852D+02
      6   0.444243D+01 -0.693466D+01 -0.743280D+01 -0.269062D+01 -0.961737D+01
                76            77            78            79            80 
      1  -0.103696D+02 -0.331118D+02  0.347846D+01 -0.127560D+02  0.263145D+01
      2  -0.786099D+01  0.129008D+02 -0.125498D+02 -0.141717D+01 -0.158271D+02
      3   0.182306D+02  0.202111D+02  0.907131D+01  0.141732D+02  0.131956D+02
      4  -0.375211D+02 -0.138529D+02 -0.218869D+02 -0.915041D+01 -0.311507D+02
      5  -0.679580D+01 -0.214673D+02 -0.860539D+01 -0.211387D+02 -0.154701D+02
      6  -0.559736D+01 -0.176336D+02 -0.494856D+01 -0.114360D+02 -0.960963D+01
                81            82            83            84            85 
      1  -0.859711D+01  0.595282D+02 -0.196494D+02 -0.556126D+01 -0.319211D+02
      2   0.835897D+01 -0.320802D+02  0.945762D+01  0.121374D+01  0.151386D+02
      3   0.238141D+00 -0.274480D+02  0.101918D+02  0.434752D+01  0.167824D+02
      4  -0.205945D+02 -0.224813D+02 -0.402063D+02 -0.621601D+01 -0.631022D+02
      5   0.416105D+02 -0.902401D+01 -0.675589D+01 -0.337620D+02 -0.112003D+02
      6   0.210908D+02 -0.177623D+01 -0.498801D+01 -0.201762D+01 -0.959190D+01
                86            87            88            89            90 
      1  -0.556245D+02 -0.706066D+01 -0.169295D+02 -0.625225D+01 -0.453495D+02
      2   0.271600D+02  0.264906D+01  0.447679D+01  0.214625D+01  0.253501D+02
      3   0.284645D+02  0.441160D+01  0.124527D+02  0.410600D+01  0.199994D+02
      4   0.234949D+02 -0.430084D+02 -0.100533D+02 -0.413911D+02 -0.529175D+01
      5  -0.460432D+02 -0.463877D+01 -0.542595D+02 -0.422708D+01  0.511732D+02
      6   0.354798D+00 -0.522757D+01 -0.350823D+01 -0.553037D+01  0.141566D+01
                91            92            93            94            95 
      1   0.136789D+02 -0.450463D+01 -0.170057D+01 -0.119977D+02 -0.177352D+02
      2  -0.972395D+01 -0.211979D+01 -0.111088D+01  0.500671D+01  0.757796D+01
      3  -0.395497D+01  0.662441D+01  0.281145D+01  0.699099D+01  0.101573D+02
      4  -0.199286D+02 -0.176799D+02 -0.799037D+01 -0.408089D+02  0.150610D+02
      5  -0.718071D+01 -0.711421D+01 -0.976591D+01 -0.127208D+02 -0.329947D+01
      6  -0.452138D+01 -0.243986D+01 -0.440384D+01 -0.255864D+01 -0.559621D+01
                96            97            98            99           100 
      1  -0.609483D+01 -0.165289D+02 -0.800820D+01 -0.248400D+01 -0.439747D+01
      2  -0.575485D-01  0.159830D+00 -0.189654D+01  0.786378D+01  0.103509D+01
      3   0.615238D+01  0.163690D+02  0.990473D+01 -0.537978D+01  0.336238D+01
      4  -0.302081D+01 -0.184823D+02 -0.158172D+02 -0.166209D+02  0.112946D+02
      5  -0.139121D+02 -0.163255D+02 -0.153721D+02  0.316772D+02 -0.159706D+02
      6  -0.311479D+01 -0.821326D+01 -0.319629D+01  0.886346D+01  0.536699D+01
               101           102           103           104           105 
      1   0.488639D+01 -0.818715D+01  0.164655D+02  0.464035D+01  0.902063D+01
      2  -0.433739D+00  0.548100D+01 -0.122645D+02  0.789910D+00 -0.319200D+01
      3  -0.445265D+01  0.270615D+01 -0.420103D+01 -0.543026D+01 -0.582862D+01
      4   0.348468D+00  0.701640D+01 -0.865323D+00 -0.158970D+02 -0.272495D+01
      5   0.630822D+01 -0.319234D+01  0.782503D+01 -0.272181D+01  0.215358D+02
      6  -0.512166D+01  0.625007D+01 -0.150581D+01 -0.115232D+01 -0.142377D+02
               106           107           108           109           110 
      1  -0.225777D+02  0.969675D+01 -0.587964D+01  0.431264D+02 -0.129597D+02
      2   0.946430D+01  0.961259D+00  0.282470D+01 -0.210605D+02  0.436308D+01
      3   0.131134D+02 -0.106580D+02  0.305495D+01 -0.220659D+02  0.859661D+01
      4   0.180498D+02 -0.125983D+02  0.205760D+02 -0.242183D+02  0.195140D+02
      5  -0.182548D+02  0.182014D+02 -0.249078D+02  0.316259D+02 -0.651106D+01
      6   0.110314D+02 -0.162855D+02  0.668055D+01 -0.112218D+02  0.394824D+01
               111           112           113           114           115 
      1   0.247230D+02 -0.143976D+02  0.378905D+01 -0.186283D+01  0.379146D+02
      2  -0.144491D+02  0.211864D+01  0.750347D+01 -0.126482D+01 -0.195277D+02
      3  -0.102739D+02  0.122789D+02 -0.112925D+02  0.312765D+01 -0.183870D+02
      4  -0.104302D+02  0.251423D+02 -0.222265D+02  0.184802D+02 -0.226117D+02
      5   0.229363D+02 -0.121144D+02  0.177860D+02 -0.192490D+02  0.352329D+02
      6  -0.774760D+01  0.607229D+01 -0.115303D+02  0.176519D+02 -0.111720D+02
               116           117           118           119           120 
      1  -0.336119D+01  0.114640D+02 -0.380133D+00 -0.915452D+01 -0.128780D+02
      2  -0.283385D+01 -0.149461D+02 -0.317324D+01  0.118986D+02  0.804076D+01
      3   0.619504D+01  0.348202D+01  0.355337D+01 -0.274404D+01  0.483724D+01
      4   0.291803D+02 -0.187351D+02  0.143982D+01 -0.733436D+01  0.352554D+01
      5  -0.170363D+02  0.593831D+02 -0.863531D+01 -0.104339D+01  0.583337D+01
      6   0.156443D+02 -0.275896D+02  0.366351D+01  0.503188D+01  0.103660D+01
               121           122           123           124           125 
      1  -0.235713D+01 -0.747135D+01 -0.553312D+01 -0.114806D+02 -0.798640D+01
      2   0.112812D+02 -0.122541D+02  0.292849D+01  0.609761D+01  0.792018D+01
      3  -0.892406D+01  0.197255D+02  0.260463D+01  0.538304D+01  0.662213D-01
      4  -0.938731D+01  0.375234D+02 -0.445242D+01  0.126411D+02 -0.189471D+02
      5   0.162197D+01 -0.362091D+01 -0.413451D+01  0.159811D+02 -0.171866D+02
      6   0.272387D+01  0.263179D+01  0.103858D+02 -0.590431D+01  0.196486D+02
               126           127           128           129           130 
      1  -0.948093D+01 -0.813889D+00 -0.274359D+00  0.341082D+01 -0.305034D+01
      2  -0.610931D+01 -0.540855D+01 -0.118796D+01  0.536896D+01 -0.607445D+00
      3   0.155902D+02  0.622244D+01  0.146232D+01 -0.877978D+01  0.365778D+01
      4  -0.153083D+02  0.707071D+00  0.217082D+01 -0.875186D+00  0.109714D+01
      5  -0.328872D+02 -0.922278D+01 -0.263153D+01  0.116914D+02 -0.294949D+01
      6   0.222262D+02  0.889794D-01 -0.180324D+01 -0.545023D+00 -0.132177D+01
               131           132           133           134           135 
      1  -0.381691D+01  0.787574D+01  0.375169D+01  0.487128D+01 -0.245293D+02
      2  -0.574408D+00  0.313584D+01  0.660419D+01  0.188960D+01 -0.146130D+02
      3   0.439132D+01 -0.110116D+02 -0.103559D+02 -0.676089D+01  0.391423D+02
      4   0.102245D+01 -0.150207D+01 -0.227380D+01 -0.345563D+01  0.194088D+01
      5  -0.286108D+01  0.426940D+01  0.118617D+02  0.406682D+01 -0.189672D+02
      6  -0.309527D+01  0.232125D+01  0.102721D+01  0.557733D+01 -0.284025D+01
               136           137           138           139           140 
      1   0.420026D+01 -0.274608D+00 -0.144918D+01 -0.831653D-01 -0.194456D+01
      2  -0.612926D+01  0.951326D+00 -0.430156D+01  0.210489D+01 -0.349163D+00
      3   0.192900D+01 -0.676718D+00  0.575074D+01 -0.202173D+01  0.229372D+01
      4  -0.309362D+01  0.389978D+01 -0.120799D+01  0.249245D+01 -0.312187D+01
      5   0.118758D+02 -0.306200D+01  0.101046D+02 -0.475345D+01  0.342712D+01
      6  -0.514168D+00  0.185547D+01 -0.880377D+00  0.929337D+00 -0.293524D+01
               141           142           143           144           145 
      1   0.489584D+01 -0.393038D+01  0.430022D+01 -0.123822D+02 -0.273085D+01
      2   0.230344D+01 -0.540858D+01  0.104358D+01 -0.844524D+01 -0.292258D+01
      3  -0.719928D+01  0.933896D+01 -0.534380D+01  0.208275D+02  0.565343D+01
      4   0.157077D+01 -0.162050D+01  0.303126D+01 -0.270646D+01  0.537714D+01
      5  -0.567899D+01  0.125244D+02 -0.445086D+01  0.160043D+02 -0.945222D+01
      6   0.213953D+01 -0.182729D+01  0.477716D+01 -0.361350D+01 -0.587263D+01
               146           147           148           149           150 
      1  -0.186768D+01  0.557373D+01 -0.292119D+01 -0.515012D+01  0.937942D+01
      2   0.434382D+00  0.303350D+01 -0.438835D+00  0.924122D+00  0.411758D+00
      3   0.143330D+01 -0.860723D+01  0.336003D+01  0.422600D+01 -0.979118D+01
      4   0.383181D+01 -0.541451D+01  0.236223D+01  0.206064D+01 -0.302596D+01
      5  -0.356169D+01  0.121751D+02 -0.342461D+01 -0.290256D+01  0.446554D+01
      6  -0.363548D+01  0.617471D+01 -0.316167D+01 -0.563917D+01  0.920147D+01
               151           152           153           154           155 
      1   0.796787D+01  0.109574D+02 -0.302430D+02  0.240948D+01  0.249266D+01
      2   0.224951D+01 -0.280969D+01 -0.618289D+01 -0.323248D+01 -0.238104D+01
      3  -0.102174D+02 -0.814768D+01  0.364259D+02  0.822998D+00 -0.111618D+00
      4  -0.587975D+01 -0.524476D+01  0.809225D+01 -0.108938D+02  0.751371D+01
      5   0.113426D+02  0.544909D+01 -0.183263D+02  0.158234D+02 -0.602914D+01
      6   0.861675D+01  0.127927D+02 -0.236561D+02 -0.922733D+01  0.595157D+01
               156           157           158           159           160 
      1  -0.190547D+01  0.617708D+00 -0.385197D+01  0.567763D+01 -0.415445D+01
      2  -0.231546D+01  0.739913D+00  0.195884D+01 -0.758500D-01 -0.258233D+01
      3   0.422093D+01 -0.135762D+01  0.189313D+01 -0.560178D+01  0.673678D+01
      4  -0.841336D+01  0.541122D+01 -0.573741D+01  0.599737D+01 -0.889716D+01
      5   0.139487D+02 -0.696526D+01  0.525698D+01 -0.818074D+01  0.152549D+02
      6  -0.876830D+01  0.548545D+01 -0.636427D+01  0.867468D+01 -0.104466D+02
               161           162           163           164           165 
      1   0.821962D+01 -0.157996D+02  0.647840D+01  0.184724D+00 -0.791662D+01
      2  -0.356927D+01 -0.267451D+01 -0.750849D+01 -0.548948D+00  0.676552D+01
      3  -0.465035D+01  0.184741D+02  0.103008D+01  0.364224D+00  0.115110D+01
      4   0.739491D+01 -0.108350D+02 -0.191892D+01  0.682984D+01  0.403405D+01
      5  -0.778225D+01  0.204379D+02 -0.141944D+02  0.252626D+01  0.148949D+02
      6   0.116879D+02 -0.185527D+02  0.224922D+01 -0.137832D+01 -0.216008D+01
               166           167           168           169           170 
      1   0.782396D+01  0.167662D+01 -0.197061D+01 -0.141664D+02 -0.306405D+01
      2  -0.509072D+01 -0.671722D+00  0.134715D+01  0.133340D+02  0.379496D+00
      3  -0.273325D+01 -0.100490D+01  0.623458D+00  0.832318D+00  0.268456D+01
      4   0.752893D+01 -0.430433D+01 -0.485633D+01  0.562793D+01 -0.808574D+01
      5  -0.741014D+00 -0.516021D+01  0.114714D+01  0.223828D+02 -0.817082D+01
      6  -0.155044D+01  0.147702D+01  0.531717D+01 -0.520786D+01  0.657260D+01
               171           172           173           174           175 
      1  -0.576239D+01  0.209695D+02 -0.917112D+01  0.393571D+01 -0.138670D+02
      2  -0.140142D+02 -0.371878D+01 -0.468629D+00 -0.936127D+00 -0.323967D+01
      3   0.197766D+02 -0.172507D+02  0.963975D+01 -0.299958D+01  0.171066D+02
      4  -0.110912D+02 -0.219851D+02  0.242559D+02 -0.176477D+01  0.351251D+02
      5  -0.455610D+02  0.471495D+01 -0.506784D+00  0.501278D+01 -0.102200D+01
      6   0.124578D+02 -0.111006D+01 -0.236559D+00 -0.123952D+01  0.403202D+00
               176           177           178           179           180 
      1  -0.160558D+00  0.521335D+00  0.185046D+02  0.112912D+01  0.156963D+01
      2   0.221820D+02 -0.269579D+01 -0.535730D+01 -0.472699D+01 -0.191936D+00
      3  -0.220215D+02  0.217445D+01 -0.131473D+02  0.359787D+01 -0.137770D+01
      4  -0.531304D+02  0.637685D+01 -0.913032D+01  0.158907D+02 -0.908892D+01
      5   0.571013D+01 -0.558301D+01  0.894784D+01 -0.783843D+01  0.214560D+01
      6  -0.117275D+01  0.462789D+01 -0.341970D+01  0.558832D+01 -0.211165D+01
               181           182           183           184           185 
      1  -0.701740D+00 -0.252061D+01  0.119273D+02 -0.751530D+01 -0.113490D+02
      2  -0.362918D+01  0.234488D+00 -0.348779D+01  0.298102D+01  0.504945D+01
      3   0.433092D+01  0.228612D+01 -0.843951D+01  0.453428D+01  0.629951D+01
      4  -0.416582D+01 -0.370495D+01  0.187151D+00 -0.304998D+01  0.111517D+01
      5   0.808036D+01 -0.136772D+00 -0.188303D+01  0.108993D+01  0.490873D+01
      6   0.151263D+01  0.139761D+00 -0.140229D+01 -0.434442D+00  0.158258D+00
               186           187           188           189           190 
      1  -0.208958D+00  0.203503D+02 -0.411836D+00 -0.245612D+02 -0.565059D+02
      2   0.899148D+00 -0.869795D+01  0.120867D+01 -0.904875D+01  0.329321D+02
      3  -0.690189D+00 -0.116523D+02 -0.796833D+00  0.336099D+02  0.235738D+02
      4   0.443291D+01  0.153844D+01  0.584899D+01 -0.220511D+01 -0.173316D+02
      5  -0.547473D+00 -0.100262D+01 -0.803227D+00  0.527019D+02  0.361277D+01
      6   0.682884D+01 -0.299339D+00  0.347151D+01  0.672973D+01  0.281032D+01
               191           192           193           194           195 
      1   0.147806D+02  0.293624D+01  0.678280D+01 -0.104459D+02 -0.967919D+00
      2  -0.146283D+02 -0.128301D+01 -0.775465D+01  0.968537D+01  0.190875D+01
      3  -0.152324D+00 -0.165323D+01  0.971851D+00  0.760552D+00 -0.940829D+00
      4  -0.345783D+01  0.249334D+01  0.169454D+01 -0.602243D+00  0.235290D+01
      5   0.106712D+01 -0.149584D+01  0.407015D-01  0.287001D+01  0.870116D+00
      6   0.274355D+00 -0.345898D+01  0.721609D+00  0.157641D+01  0.213417D+01
               196           197           198           199           200 
      1   0.453291D+01 -0.271821D+01 -0.584330D+01  0.164483D+01  0.236761D+01
      2  -0.163346D+01  0.362202D+01  0.235381D+01 -0.142968D+01  0.119502D+01
      3  -0.289945D+01 -0.903817D+00  0.348949D+01 -0.215152D+00 -0.356262D+01
      4   0.152357D+01  0.417974D+01  0.196213D+01  0.619953D+01  0.956023D+01
      5   0.966776D+00  0.312771D+01 -0.317820D+01 -0.105432D+02 -0.336371D+01
      6  -0.234929D+01  0.369825D+01 -0.126812D+01 -0.409510D+01 -0.191618D+01
               201           202           203           204           205 
      1  -0.744422D+01 -0.241261D+00 -0.303531D+00  0.308178D+01 -0.109660D+02
      2   0.564920D+01  0.226079D+01  0.180219D+01 -0.300148D+01  0.787022D+01
      3   0.179503D+01 -0.201953D+01 -0.149866D+01 -0.802979D-01  0.309578D+01
      4  -0.544073D+01  0.688456D+01  0.745702D+01 -0.578166D+01 -0.871651D+01
      5   0.138393D+02 -0.676378D+00 -0.619258D+01  0.391467D+01  0.161090D+02
      6   0.532735D+01 -0.165865D+01 -0.370416D+01  0.819247D+01  0.751170D+01
               206           207           208           209           210 
      1   0.590838D+01 -0.708921D+01  0.140538D+02  0.105784D+02  0.597465D+01
      2  -0.542546D+01 -0.860328D+01  0.228260D+01  0.748410D+01 -0.268380D+00
      3  -0.482915D+00  0.156925D+02 -0.163364D+02 -0.180625D+02 -0.570627D+01
      4  -0.135907D+02  0.172521D+02  0.282261D+02  0.345917D+02  0.894147D+01
      5   0.149148D+02 -0.508942D+02  0.848814D+01  0.623533D+01  0.929361D+01
      6   0.130822D+02 -0.294841D+02  0.551733D+01  0.484142D+01  0.636763D+01
               211           212           213           214           215 
      1   0.966114D+01 -0.237749D+01 -0.104955D+01  0.969231D+01 -0.200936D+01
      2   0.876403D+01  0.323351D+02  0.835912D+01 -0.358848D+00  0.125821D+02
      3  -0.184252D+02 -0.299576D+02 -0.730958D+01 -0.933346D+01 -0.105727D+02
      4   0.349574D+02  0.588010D+02  0.163628D+02  0.162552D+02  0.276055D+02
      5   0.703682D+01  0.146753D+02  0.107549D+02  0.119006D+02  0.148409D+02
      6   0.591469D+01  0.130756D+02  0.102618D+02  0.795567D+01  0.129269D+02
               216           217           218           219           220 
      1   0.145843D+01  0.270232D+02  0.146818D+01 -0.205289D+02  0.402313D+01
      2   0.253364D+01 -0.160667D+02 -0.566930D+00  0.118564D+02 -0.174041D+01
      3  -0.399206D+01 -0.109565D+02 -0.901255D+00  0.867252D+01 -0.228272D+01
      4   0.168842D+02  0.231078D+01  0.862956D+01  0.381244D+00  0.154249D+02
      5   0.953868D+01 -0.218634D+02  0.796822D+00  0.244918D+02  0.175761D+00
      6   0.843239D+01 -0.415391D+00  0.173996D+00  0.363843D+00 -0.924112D+00
               221           222           223           224           225 
      1   0.109880D+02  0.786536D+00 -0.471034D+02  0.187367D+01  0.294279D+02
      2  -0.558724D+01 -0.728636D+00  0.281209D+02 -0.153260D+01 -0.242391D+02
      3  -0.540074D+01 -0.579000D-01  0.189824D+02 -0.341064D+00 -0.518880D+01
      4  -0.178235D+01 -0.544997D+01  0.238629D+00 -0.107005D+02  0.108647D+01
      5  -0.531103D+01  0.137389D+01  0.438738D+02  0.156756D+00 -0.725150D+02
      6  -0.615031D+00  0.429484D+01  0.160997D+01  0.432494D+01 -0.208012D+01
               226           227           228           229           230 
      1   0.258081D+02 -0.212255D+02  0.104669D+02 -0.426053D+02  0.304308D+02
      2  -0.122136D+02  0.995820D+01 -0.555536D+01  0.204672D+02 -0.944145D+01
      3  -0.135945D+02  0.112673D+02 -0.491151D+01  0.221381D+02 -0.209893D+02
      4  -0.221483D+02  0.249015D+02 -0.703163D+01  0.420609D+02 -0.666506D+02
      5   0.121256D+02 -0.774333D+01  0.116807D+02 -0.139819D+02  0.242023D+02
      6  -0.252905D+01  0.196867D+01 -0.996306D+00  0.437647D+01 -0.703258D+01
               231           232           233           234           235 
      1  -0.849883D+01  0.203599D+02 -0.744818D+01  0.138450D+02  0.616762D+02
      2   0.508378D+01 -0.112486D+02  0.458267D+01 -0.973871D+01 -0.299105D+02
      3   0.341504D+01 -0.911129D+01  0.286551D+01 -0.410633D+01 -0.317657D+02
      4   0.227820D+02 -0.113904D+02  0.241488D+02 -0.150223D+02  0.342224D+02
      5  -0.188508D+02  0.212980D+02 -0.162083D+02  0.134018D+02  0.252168D+02
      6   0.589866D+01 -0.236953D+01  0.616331D+01 -0.417064D+01  0.524786D+01
               236           237           238           239           240 
      1   0.285390D+02  0.203196D+02  0.561191D+02  0.308929D+02  0.135132D+02
      2  -0.127784D+02 -0.108942D+02 -0.249894D+02 -0.931593D+01 -0.674102D+01
      3  -0.157606D+02 -0.942533D+01 -0.311297D+02 -0.215770D+02 -0.677221D+01
      4   0.278042D+02  0.119412D+02  0.466138D+02  0.430734D+02  0.222777D+02
      5   0.123319D+02  0.202756D+02  0.217391D+02  0.229003D+02  0.208061D+02
      6   0.298889D+01  0.286538D+01  0.677020D+01  0.706994D+01  0.647100D+01
               241           242           243           244           245 
      1   0.366959D+02  0.116335D+02  0.215956D+02  0.753526D+00  0.315697D+01
      2  -0.198116D+02 -0.575070D+01 -0.141330D+02 -0.428046D+01 -0.142317D+01
      3  -0.168843D+02 -0.588281D+01 -0.746260D+01  0.352694D+01 -0.173381D+01
      4   0.187935D+02  0.235755D+02  0.167023D+02  0.588872D+01  0.579228D+01
      5   0.331659D+02  0.171957D+02  0.212042D+02 -0.128057D+02 -0.161436D+01
      6   0.576036D+01  0.656686D+01  0.589823D+01 -0.377096D+01 -0.544924D+00
               246           247           248           249           250 
      1  -0.722886D+01  0.393785D+01  0.492618D+00  0.181784D+01 -0.876859D+01
      2   0.556534D+01 -0.163081D+01 -0.245877D+00 -0.434223D+00  0.888529D+01
      3   0.166352D+01 -0.230704D+01 -0.246741D+00 -0.138362D+01 -0.116699D+00
      4  -0.277266D+01  0.980710D+01  0.471494D+01 -0.731339D+01 -0.433123D+01
      5   0.127629D+02 -0.234776D+01 -0.740932D+01  0.920988D+01  0.178798D+02
      6   0.218394D+01 -0.175591D+01 -0.388842D+01  0.705725D+01  0.330346D+01
               251           252           253           254           255 
      1   0.229319D+01 -0.550460D+01 -0.883778D+02 -0.137169D+02  0.918278D+01
      2   0.494574D+00 -0.134045D+02  0.441781D+02  0.174458D+02 -0.578279D+01
      3  -0.278776D+01  0.189091D+02  0.441997D+02 -0.372890D+01 -0.340000D+01
      4  -0.101514D+02  0.929720D+01 -0.204655D+02  0.253383D+02  0.895417D+01
      5   0.785255D+01 -0.428951D+02  0.112915D+02  0.524397D+01  0.104366D+02
      6   0.623162D+01 -0.119607D+02  0.882775D+01  0.424101D+01  0.427501D+01
               256           257           258           259           260 
      1   0.938429D+01  0.379919D+02 -0.244674D+00  0.269641D+02  0.795960D+00
      2   0.380737D+01 -0.382427D+02  0.856265D+00 -0.970763D+01  0.501824D+01
      3  -0.131917D+02  0.250865D+00 -0.611592D+00 -0.172565D+02 -0.581420D+01
      4   0.349707D+02 -0.153465D+02  0.123564D+02  0.207482D+02  0.206272D+02
      5   0.105131D+02  0.154641D+02  0.130683D+02  0.160081D+02  0.118798D+02
      6   0.716380D+01  0.498178D+01  0.706504D+01  0.812329D+01  0.753302D+01
               261           262           263           264           265 
      1   0.138229D+02  0.450666D+01 -0.671658D+01 -0.134887D+01 -0.442784D+01
      2   0.617878D+01  0.306581D+01 -0.301060D+01 -0.292508D+00 -0.751874D+01
      3  -0.200017D+02 -0.757247D+01  0.972717D+01  0.164138D+01  0.119466D+02
      4   0.156693D+02 -0.133417D+02  0.196700D+02  0.385504D+01  0.244296D+02
      5  -0.280313D+02 -0.457892D+01  0.517046D+01  0.352242D+01  0.601195D+01
      6  -0.900562D+01  0.321547D+01 -0.393836D+01 -0.150806D+01 -0.512563D+01
               266           267           268           269           270 
      1  -0.102043D+02 -0.286549D+01  0.859905D+00 -0.225461D+00 -0.128465D+01
      2   0.363899D+02  0.459591D+01  0.227620D+01 -0.685463D+01  0.168817D+01
      3  -0.261857D+02 -0.173042D+01 -0.313610D+01  0.708010D+01 -0.403524D+00
      4  -0.604353D+02 -0.110587D+02 -0.440698D+01  0.102611D+02 -0.337663D+01
      5  -0.131697D+02 -0.101473D+02  0.192870D+01 -0.306840D+01 -0.215797D+01
      6   0.158471D+02  0.776301D+01 -0.108372D+01  0.349207D+01  0.150025D+01
               271           272           273           274           275 
      1   0.132302D+03  0.144727D+02 -0.455366D+01 -0.176078D+01  0.781385D+01
      2  -0.616523D+02 -0.285705D+01  0.183527D+01  0.440127D+01 -0.200082D+00
      3  -0.706500D+02 -0.116156D+02  0.271839D+01 -0.264048D+01 -0.761377D+01
      4   0.507287D+02  0.207325D+02 -0.183618D+00  0.145749D+02  0.723314D+01
      5   0.376472D+01  0.131304D+01  0.130049D+02 -0.650781D+00 -0.190726D+01
      6  -0.110239D+01  0.130236D+01  0.413606D+01  0.188565D+00 -0.240878D+00
               276           277           278           279           280 
      1   0.300618D+00 -0.167105D+02 -0.171537D+01  0.101453D+02 -0.103501D+00
      2  -0.448474D+00  0.690258D+01 -0.709016D+00 -0.713856D+01  0.402685D+01
      3   0.147856D+00  0.980790D+01  0.242439D+01 -0.300676D+01 -0.392335D+01
      4  -0.212904D+01 -0.815253D+01 -0.576685D+01  0.289509D+01  0.439890D+01
      5  -0.120960D+01  0.144125D+02  0.745527D+00 -0.376943D+00 -0.269196D+01
      6   0.135214D+00  0.411256D+01  0.874102D+00 -0.215236D+00 -0.100254D+01
               281           282           283           284           285 
      1   0.156683D+02 -0.159605D+01  0.113545D+02 -0.348048D+02  0.900113D-01
      2  -0.163359D+02  0.118742D+01 -0.555303D+01  0.560480D+02 -0.115661D+01
      3   0.667555D+00  0.408627D+00 -0.580144D+01 -0.212432D+02  0.106660D+01
      4  -0.778388D+01 -0.192233D+01  0.839780D+01  0.531486D+02 -0.725838D+00
      5   0.134522D+00 -0.279194D+01  0.139335D+01 -0.349012D+01  0.589171D+01
      6  -0.141396D+01 -0.255884D+01 -0.147026D+00  0.410638D+01  0.659360D+01
               286           287           288           289           290 
      1  -0.562436D+01  0.240732D+01 -0.636317D+01  0.699825D+01  0.135002D+01
      2   0.215379D+01 -0.604919D+01  0.507772D+01 -0.657605D+01 -0.228451D+01
      3   0.347057D+01  0.364186D+01  0.128545D+01 -0.422204D+00  0.934494D+00
      4  -0.415697D+01 -0.903677D+01  0.401963D+01  0.448042D+00 -0.303505D+01
      5  -0.155912D+00  0.543904D+01  0.444507D+00  0.442801D+01 -0.977550D+00
      6  -0.762739D+00  0.694413D+01 -0.476059D+00  0.611042D+00 -0.131453D+01
               291           292           293           294           295 
      1   0.620808D+01 -0.505634D+01 -0.649749D+01 -0.568241D+00  0.109045D+02
      2  -0.254151D+01  0.165544D+01  0.355943D+01  0.292256D+01 -0.666896D+01
      3  -0.366657D+01  0.340090D+01  0.293806D+01 -0.235432D+01 -0.423559D+01
      4   0.590404D+00 -0.367656D+01 -0.321295D+01  0.274142D+01  0.611930D+01
      5   0.101749D+01 -0.206927D+01  0.248458D+01 -0.498785D+01  0.103162D+02
      6  -0.972351D+00 -0.769851D+00  0.147460D+00  0.166182D+01  0.212622D+01
               296           297 
      1  -0.120808D+01 -0.121182D+02
      2   0.335722D+01 -0.136614D+02
      3  -0.214914D+01  0.257795D+02
      4   0.939694D+01  0.476026D+00
      5   0.166052D+01  0.459187D+02
      6   0.479238D+01  0.183524D+02
 Leave Link  716 at Mon Sep 27 16:02:52 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.221055D+03 -0.122851D+01  0.205995D+01
      2  -0.122851D+01  0.139912D+03 -0.763972D+01
      3   0.205995D+01 -0.763972D+01  0.151064D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.799907D+01 -0.756691D+01  0.235147D+02
      2  -0.558360D+00 -0.628614D+01  0.381507D+02
      3  -0.100032D+03 -0.452239D+02  0.116815D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.253876D+03  0.400836D+02 -0.226284D+02
      2  -0.134663D+03 -0.263079D+02  0.419923D+02
      3  -0.119213D+03 -0.137757D+02 -0.193639D+02
      4  -0.426808D+02  0.832721D+02 -0.136793D+02
      5  -0.260995D+02 -0.193307D+02  0.794193D+02
      6   0.795377D+00  0.216811D+02 -0.363322D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.108581D+02 -0.902731D-01  0.837912D+00  0.549606D+01  0.208901D+01
      2  -0.902731D-01  0.143318D+01  0.143984D+00  0.208901D+01  0.192855D+01
      3   0.837912D+00  0.143984D+00  0.122735D+01 -0.140370D+00 -0.268357D+01
                 6             7             8             9            10 
      1  -0.140370D+00 -0.936352D+01  0.303527D+00 -0.422058D+00  0.291549D+02
      2  -0.268357D+01  0.303527D+00 -0.138225D+01 -0.118652D+01  0.151138D+01
      3  -0.216456D+01 -0.422058D+00 -0.118652D+01 -0.181432D+01 -0.103536D+01
                11            12            13            14            15 
      1   0.151138D+01 -0.103536D+01 -0.594666D+00  0.431755D+01  0.122858D+01
      2   0.213314D+01 -0.641753D+00  0.431755D+01 -0.761858D+00 -0.103882D+00
      3  -0.641753D+00  0.281595D+01  0.122858D+01 -0.103882D+00 -0.797552D+00
                16            17            18            19            20 
      1  -0.361399D+01  0.132903D+01  0.113775D+01  0.778021D+01 -0.637793D-01
      2   0.132903D+01  0.213877D+00 -0.700792D+00 -0.637793D-01 -0.133714D+01
      3   0.113775D+01 -0.700792D+00 -0.387839D+00 -0.642037D+00 -0.491204D+00
                21            22            23            24            25 
      1  -0.642037D+00  0.369251D+01 -0.139901D+01 -0.109076D+01 -0.121985D+02
      2  -0.491204D+00 -0.139901D+01  0.252070D+01 -0.215393D+01 -0.351676D+00
      3  -0.289826D+01 -0.109076D+01 -0.215393D+01 -0.116468D+01  0.566308D+00
                26            27            28            29            30 
      1  -0.351676D+00  0.566308D+00 -0.259303D+02 -0.823763D+00  0.982285D+00
      2  -0.873160D+00 -0.766082D+00 -0.823763D+00 -0.172871D+01  0.141686D+00
      3  -0.766082D+00 -0.155792D+01  0.982285D+00  0.141686D+00 -0.271014D+01
                31            32            33            34            35 
      1   0.210373D+01 -0.459523D+01 -0.126440D+01  0.253300D+01 -0.110739D+01
      2  -0.459523D+01  0.580109D+00  0.369106D+00 -0.110739D+01 -0.268134D-01
      3  -0.126440D+01  0.369106D+00  0.223749D-01 -0.857405D+00 -0.821750D+00
                36            37            38            39            40 
      1  -0.857405D+00  0.118595D+02 -0.310853D+00 -0.725584D+00 -0.372755D+01
      2  -0.821750D+00 -0.310853D+00 -0.242039D+01  0.119321D+01 -0.166818D+01
      3   0.968508D+00 -0.725584D+00  0.119321D+01 -0.189890D+01 -0.209146D+00
                41            42            43            44            45 
      1  -0.166818D+01 -0.209146D+00  0.101849D+02 -0.152680D+01  0.548659D+00
      2  -0.260551D+01  0.241032D+01 -0.152680D+01  0.138714D+01  0.137091D+01
      3   0.241032D+01  0.201361D+01  0.548659D+00  0.137091D+01  0.143074D+01
                46            47            48            49            50 
      1  -0.883818D+01  0.436390D+00  0.289482D+00 -0.274565D+01  0.982828D+00
      2   0.436390D+00  0.195960D+01 -0.569240D+00  0.982828D+00 -0.342777D+01
      3   0.289482D+00 -0.569240D+00  0.317919D+01  0.143597D+01  0.200122D+01
                51            52            53            54            55 
      1   0.143597D+01  0.119611D+02  0.140370D+01 -0.101648D+01 -0.145023D+02
      2   0.200122D+01  0.140370D+01  0.571769D-01  0.148367D+01 -0.208200D+01
      3   0.107300D+01 -0.101648D+01  0.148367D+01  0.699343D+00 -0.455834D+00
                56            57            58            59            60 
      1  -0.208200D+01 -0.455834D+00 -0.584521D+01 -0.733067D+01 -0.566467D+00
      2  -0.361849D+01 -0.156072D+00 -0.733067D+01  0.249221D+01 -0.177622D+01
      3  -0.156072D+00 -0.136379D+01 -0.566467D+00 -0.177622D+01 -0.117420D+00
                61            62            63            64            65 
      1  -0.559184D+01 -0.126081D+01 -0.315980D+01 -0.156687D+01  0.311043D+01
      2  -0.126081D+01 -0.326620D+01  0.511373D+00  0.311043D+01  0.390670D+01
      3  -0.315980D+01  0.511373D+00  0.543026D+01  0.970971D-01  0.407515D+00
                66            67            68            69            70 
      1   0.970971D-01  0.107275D+02  0.655100D+01  0.820685D+00  0.576741D+01
      2   0.407515D+00  0.655100D+01 -0.176751D+01  0.226398D+01  0.137107D+01
      3   0.251299D+01  0.820685D+00  0.226398D+01  0.606236D+00  0.385538D+01
                71            72            73            74            75 
      1   0.137107D+01  0.385538D+01  0.627177D+01 -0.270143D+01 -0.125696D+01
      2   0.331612D+01  0.713134D+00 -0.270143D+01 -0.376993D+01 -0.693054D+00
      3   0.713134D+00 -0.752359D+01 -0.125696D+01 -0.693054D+00 -0.191798D+01
                76            77            78            79            80 
      1  -0.370468D+01 -0.412094D+01 -0.958202D+00 -0.225427D+01 -0.967370D+00
      2  -0.412094D+01 -0.168872D+00 -0.300026D+01 -0.967370D+00 -0.411231D+01
      3  -0.958202D+00 -0.300026D+01 -0.118734D+01 -0.272116D+01 -0.203631D+01
                81            82            83            84            85 
      1  -0.272116D+01  0.535059D+01 -0.191133D+01 -0.613627D+00 -0.382113D+01
      2  -0.203631D+01 -0.191133D+01 -0.356850D+01 -0.554500D+00 -0.576735D+01
      3   0.553142D+01 -0.613627D+00 -0.554500D+00 -0.294440D+01 -0.906660D+00
                86            87            88            89            90 
      1  -0.576735D+01 -0.906660D+00 -0.207897D+01 -0.896824D+00 -0.462590D+01
      2   0.226460D+01 -0.387212D+01 -0.896824D+00 -0.392088D+01 -0.346102D+00
      3  -0.387212D+01 -0.513155D+00 -0.462590D+01 -0.346102D+00  0.463060D+01
                91            92            93            94            95 
      1   0.374860D+01  0.252868D+01  0.425299D+00  0.255111D+00  0.563429D+01
      2   0.252868D+01  0.220802D+01  0.100625D+01  0.563429D+01 -0.331886D+01
      3   0.425299D+00  0.100625D+01  0.143462D+01  0.170715D+01  0.173902D+00
                96            97            98            99           100 
      1   0.170715D+01  0.378974D+01  0.162132D+01  0.202921D+01  0.206948D+01
      2   0.173902D+00  0.162132D+01  0.218152D+01  0.196124D+01 -0.123761D+01
      3   0.153513D+01  0.202921D+01  0.196124D+01 -0.436727D+01  0.154118D+01
               101           102           103           104           105 
      1  -0.123761D+01  0.154118D+01 -0.981243D+00 -0.852054D+00 -0.134773D+01
      2  -0.242347D+00 -0.805951D+00 -0.852054D+00  0.350300D+01  0.925895D-01
      3  -0.805951D+00  0.319392D+00 -0.134773D+01  0.925895D-01 -0.123800D+01
               106           107           108           109           110 
      1   0.217605D+01 -0.204388D+01  0.119286D+01 -0.502385D+01  0.193037D+01
      2  -0.204388D+01  0.101889D+01 -0.227587D+01  0.193037D+01 -0.131138D+01
      3   0.119286D+01 -0.227587D+01  0.304494D+01 -0.347548D+01  0.677310D+00
               111           112           113           114           115 
      1  -0.347548D+01  0.262745D+01 -0.228911D+01  0.125739D+01 -0.693979D+01
      2   0.677310D+00 -0.228911D+01  0.232316D+01 -0.225938D+01  0.255439D+01
      3  -0.184156D+01  0.125739D+01 -0.225938D+01  0.191843D+01 -0.312683D+01
               116           117           118           119           120 
      1   0.255439D+01 -0.312683D+01  0.977829D+00 -0.647183D-01  0.128259D+01
      2  -0.378339D+01  0.198381D+01 -0.647183D-01  0.218059D+01  0.391567D+00
      3   0.198381D+01 -0.740976D+01  0.128259D+01  0.391567D+00  0.286166D+00
               121           122           123           124           125 
      1  -0.380818D+00  0.208092D+01  0.167456D+00  0.294251D+01 -0.114726D+01
      2   0.208092D+01 -0.513287D+01  0.922274D+00 -0.114726D+01  0.297704D+01
      3   0.167456D+00  0.922274D+00  0.996888D-01 -0.860433D+00  0.249670D+01
               126           127           128           129           130 
      1  -0.860433D+00  0.202968D+01  0.576093D+00 -0.200577D+01  0.244564D+00
      2   0.249670D+01  0.576093D+00  0.284556D+00 -0.426537D+00  0.103839D+00
      3   0.447587D+01 -0.200577D+01 -0.426537D+00  0.205078D+01 -0.708982D+00
               131           132           133           134           135 
      1   0.103839D+00 -0.708982D+00 -0.236109D+01 -0.980170D+00  0.266080D+01
      2   0.418588D+00 -0.681802D+00 -0.980170D+00 -0.126708D+01  0.170446D+01
      3  -0.681802D+00  0.224193D+01  0.266080D+01  0.170446D+01 -0.720087D+01
               136           137           138           139           140 
      1  -0.395548D+01  0.113832D+01 -0.198634D+01  0.163857D+01 -0.554378D+00
      2   0.113832D+01 -0.752215D+00  0.587911D+00 -0.554378D+00  0.591711D+00
      3  -0.198634D+01  0.587911D+00 -0.176060D+01  0.110946D+01 -0.621937D+00
               141           142           143           144           145 
      1   0.110946D+01 -0.238682D+01  0.862669D+00 -0.255146D+01 -0.216135D+01
      2  -0.621937D+00  0.862669D+00 -0.119830D+01  0.145933D+01 -0.677819D+00
      3   0.170940D+01 -0.255146D+01  0.145933D+01 -0.448505D+01  0.213126D+01
               146           147           148           149           150 
      1  -0.677819D+00  0.213126D+01 -0.493372D+00 -0.193298D+00  0.765680D+00
      2  -0.391778D+00  0.653635D+00 -0.193298D+00 -0.627656D+00  0.900858D+00
      3   0.653635D+00 -0.221153D+01  0.765680D+00  0.900858D+00 -0.242787D+01
               151           152           153           154           155 
      1   0.209036D+01  0.105772D+01 -0.275473D+01  0.378272D+01 -0.117897D+01
      2   0.105772D+01  0.158794D+01 -0.241479D+01 -0.117897D+01  0.941835D+00
      3  -0.275473D+01 -0.241479D+01  0.750249D+01  0.260711D+01 -0.110069D+01
               156           157           158           159           160 
      1   0.260711D+01 -0.172775D+01  0.739442D+00 -0.138685D+01  0.273106D+01
      2  -0.110069D+01  0.739442D+00 -0.875932D+00  0.953067D+00 -0.128055D+01
      3   0.229086D+01 -0.138685D+01  0.953067D+00 -0.204825D+01  0.292114D+01
               161           162           163           164           165 
      1  -0.128055D+01  0.292114D+01  0.930318D+00 -0.559057D-01 -0.158280D+01
      2   0.164678D+01 -0.215377D+01 -0.559057D-01  0.700568D+00  0.278045D+00
      3  -0.215377D+01  0.510165D+01 -0.158280D+01  0.278045D+00  0.135098D+01
               166           167           168           169           170 
      1   0.153829D+01  0.117389D+01 -0.642344D-01 -0.353797D+01  0.112142D+00
      2   0.117389D+01 -0.457035D+00 -0.758977D+00  0.112142D+00 -0.109208D+01
      3  -0.642344D-01 -0.758977D+00  0.681323D-01  0.242115D+01 -0.117674D+01
               171           172           173           174           175 
      1   0.242115D+01  0.411742D+01 -0.195553D+01  0.657702D+00 -0.398109D+01
      2  -0.117674D+01 -0.195553D+01  0.235052D+01 -0.695797D-01  0.347466D+01
      3  -0.635655D+01  0.657702D+00 -0.695797D-01  0.388657D+00 -0.193687D+00
               176           177           178           179           180 
      1   0.347466D+01 -0.193687D+00  0.448195D+01 -0.434803D+00  0.108324D+01
      2  -0.680937D+01  0.855106D+00 -0.434803D+00  0.205585D+01 -0.109757D+01
      3   0.855106D+00 -0.723285D+00  0.108324D+01 -0.109757D+01  0.268081D+00
               181           182           183           184           185 
      1  -0.377278D+00 -0.657138D+00  0.137722D+01 -0.132775D+01 -0.798871D+00
      2  -0.657138D+00 -0.763697D+00 -0.355758D-01 -0.798871D+00  0.204273D+00
      3   0.137722D+01 -0.355758D-01 -0.940515D+00  0.119219D+00  0.765896D+00
               186           187           188           189           190 
      1   0.119219D+00  0.218681D+01  0.154208D+00 -0.752789D+00 -0.890161D+01
      2   0.765896D+00  0.154208D+00  0.988714D+00 -0.772042D-01  0.765758D+00
      3  -0.602410D-02 -0.752789D+00 -0.772042D-01  0.743670D+01  0.500772D+00
               191           192           193           194           195 
      1   0.765758D+00  0.500772D+00  0.140404D+00 -0.144566D+01  0.616970D-01
      2  -0.215644D+01  0.735769D-01 -0.144566D+01  0.686896D+00  0.396278D+00
      3   0.735769D-01 -0.641573D+00  0.616970D-01  0.396278D+00  0.401985D+00
               196           197           198           199           200 
      1   0.617888D+00 -0.953059D-01 -0.385098D+00  0.321348D+00  0.688420D+00
      2  -0.953059D-01  0.682589D+00  0.586211D+00  0.688420D+00  0.926943D+00
      3  -0.385098D+00  0.586211D+00 -0.289628D+00 -0.106884D+01 -0.283166D+00
               201           202           203           204           205 
      1  -0.106884D+01  0.361115D+00  0.640356D+00 -0.829518D-01 -0.174286D+01
      2  -0.283166D+00  0.640356D+00  0.889641D+00 -0.801152D+00 -0.514359D+00
      3   0.133535D+01 -0.829518D-01 -0.801152D+00  0.640723D+00  0.151512D+01
               206           207           208           209           210 
      1  -0.514359D+00  0.151512D+01  0.243149D+01  0.276938D+01  0.987217D+00
      2  -0.192212D+01  0.197906D+01  0.276938D+01  0.341624D+01  0.745980D+00
      3   0.197906D+01 -0.685312D+01  0.987217D+00  0.745980D+00  0.985542D+00
               211           212           213           214           215 
      1   0.251014D+01  0.343208D+01  0.929815D+00  0.186076D+01  0.151221D+01
      2   0.343208D+01  0.708790D+01  0.205301D+01  0.151221D+01  0.346283D+01
      3   0.929815D+00  0.205301D+01  0.138604D+01  0.132960D+01  0.195546D+01
               216           217           218           219           220 
      1   0.132960D+01  0.215302D+01  0.147029D+00 -0.168179D+01  0.449944D+00
      2   0.195546D+01  0.147029D+00  0.648783D+00  0.689560D-01  0.125652D+01
      3   0.117659D+01 -0.168179D+01  0.689560D-01  0.173220D+01  0.649974D-02
               221           222           223           224           225 
      1   0.125652D+01  0.649974D-02 -0.430005D+01  0.113746D+00  0.342629D+01
      2  -0.177759D+00 -0.506487D+00  0.113746D+00 -0.923438D+00 -0.602957D-02
      3  -0.506487D+00  0.133376D+00  0.342629D+01 -0.602957D-02 -0.625427D+01
               226           227           228           229           230 
      1   0.196289D+01 -0.183688D+01  0.912216D+00 -0.384565D+01  0.344448D+01
      2  -0.183688D+01  0.186046D+01 -0.542345D+00  0.344448D+01 -0.601922D+01
      3   0.912216D+00 -0.542345D+00  0.853505D+00 -0.103748D+01  0.202852D+01
               231           232           233           234           235 
      1  -0.103748D+01  0.192795D+01 -0.940898D+00  0.167972D+01  0.510190D+01
      2   0.202852D+01 -0.940898D+00  0.218003D+01 -0.139736D+01  0.257807D+01
      3  -0.153511D+01  0.167972D+01 -0.139736D+01  0.114518D+01  0.183941D+01
               236           237           238           239           240 
      1   0.257807D+01  0.183941D+01  0.556141D+01  0.369642D+01  0.163657D+01
      2   0.200086D+01  0.913207D+00  0.369642D+01  0.359128D+01  0.190392D+01
      3   0.913207D+00  0.139726D+01  0.163657D+01  0.190392D+01  0.164854D+01
               241           242           243           244           245 
      1   0.366505D+01  0.148166D+01  0.256285D+01  0.349114D+00 -0.819215D+00
      2   0.148166D+01  0.201451D+01  0.142346D+01 -0.819215D+00 -0.524447D+00
      3   0.256285D+01  0.142346D+01  0.169765D+01  0.147358D+01  0.105075D+00
               246           247           248           249           250 
      1   0.147358D+01 -0.124876D+01 -0.106936D+01  0.224269D+00  0.260835D+01
      2   0.105075D+00 -0.106936D+01 -0.622172D+00  0.111267D+01  0.225460D+00
      3  -0.118895D+01  0.224269D+00  0.111267D+01 -0.126778D+01 -0.198215D+01
               251           252           253           254           255 
      1   0.225460D+00 -0.198215D+01  0.859852D+01 -0.239634D+00 -0.185336D+01
      2   0.140882D+01 -0.107684D+01 -0.239634D+00 -0.366014D+01 -0.794368D+00
      3  -0.107684D+01  0.620079D+01 -0.185336D+01 -0.794368D+00 -0.112142D+01
               256           257           258           259           260 
      1  -0.451468D+01 -0.395327D+01 -0.121624D+01 -0.620209D+01 -0.157694D+01
      2  -0.395327D+01  0.380313D+01 -0.148931D+01 -0.157694D+01 -0.272436D+01
      3  -0.121624D+01 -0.148931D+01 -0.185645D+01 -0.163567D+01 -0.147010D+01
               261           262           263           264           265 
      1  -0.163567D+01 -0.107100D+01  0.144923D+01  0.477227D+00  0.170894D+01
      2  -0.147010D+01  0.144923D+01 -0.200341D+01 -0.458442D+00 -0.278913D+01
      3   0.385253D+01  0.477227D+00 -0.458442D+00 -0.426964D+00 -0.520753D+00
               266           267           268           269           270 
      1  -0.278913D+01 -0.520753D+00 -0.303340D+00  0.567883D+00 -0.224161D+00
      2   0.884913D+01  0.161828D+01  0.567883D+00 -0.138630D+01  0.513810D+00
      3   0.161828D+01  0.153166D+01 -0.224161D+00  0.513810D+00  0.365746D+00
               271           272           273           274           275 
      1  -0.153046D+02 -0.221027D+01  0.251230D+00  0.191486D+00 -0.119452D+01
      2  -0.221027D+01 -0.143431D+01 -0.128266D+00 -0.119452D+01 -0.574338D+00
      3   0.251230D+00 -0.128266D+00 -0.102729D+01  0.984851D-01  0.237212D+00
               276           277           278           279           280 
      1   0.984851D-01  0.220846D+01  0.494037D+00 -0.125225D+01  0.270843D-01
      2   0.237212D+00  0.494037D+00  0.659315D+00 -0.389956D-01 -0.944846D+00
      3   0.248416D+00 -0.125225D+01 -0.389956D-01  0.139240D-01  0.349795D+00
               281           282           283           284           285 
      1  -0.944846D+00  0.349795D+00 -0.139985D+01 -0.132491D-01 -0.271019D-01
      2   0.221600D+01  0.198196D+00 -0.132491D-01 -0.864309D+01  0.892253D-01
      3   0.198196D+00  0.432976D+00 -0.271019D-01  0.892253D-01 -0.886180D+00
               286           287           288           289           290 
      1   0.102051D+01  0.278930D+00  0.121506D+00 -0.527462D+00  0.232419D+00
      2   0.278930D+00  0.132261D+01 -0.843950D+00  0.232419D+00  0.515332D+00
      3   0.121506D+00 -0.843950D+00 -0.976977D-01 -0.636795D+00  0.164644D+00
               291           292           293           294           295 
      1  -0.636795D+00  0.109259D+01  0.416988D+00  0.153099D+00 -0.187876D+01
      2   0.164644D+00  0.416988D+00  0.254956D+00 -0.438401D+00 -0.318659D+00
      3   0.300112D+00  0.153099D+00 -0.438401D+00  0.655001D+00 -0.723200D+00
               296           297 
      1  -0.318659D+00 -0.723200D+00
      2  -0.128304D+01 -0.255871D+00
      3  -0.255871D+00 -0.637515D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.140813D+01 -0.221054D+01  0.102814D+01 -0.665266D+01 -0.222302D+01
      2   0.271060D+01 -0.235252D+01  0.976138D+01 -0.191138D+01  0.133312D+01
      3   0.151723D+02 -0.154461D+01  0.290655D+01  0.809584D+01 -0.134767D+01
                 6             7             8             9            10 
      1  -0.217610D+01 -0.165815D+01  0.205776D+01  0.117193D+00 -0.118637D+01
      2  -0.327611D+01 -0.488357D+01 -0.123993D+01  0.202778D+01  0.164868D+00
      3   0.230383D+01  0.127992D+02  0.512769D+00  0.290430D+01 -0.283246D+02
                11            12            13            14            15 
      1   0.169188D+00  0.174190D+01  0.236031D+01  0.440216D+01 -0.817415D+01
      2   0.605260D+00 -0.352030D+01  0.408050D+01  0.445902D+00  0.118591D+01
      3  -0.127631D+01  0.652207D+00  0.113157D+02 -0.141584D+01 -0.615486D+00
                16            17            18            19            20 
      1  -0.302754D+01 -0.228580D+01 -0.502276D+01 -0.266336D+00  0.155112D+01
      2  -0.228025D+02 -0.127205D+01 -0.328377D+01 -0.350783D+01 -0.224658D+01
      3  -0.709228D+00 -0.139780D+01 -0.173224D+01 -0.878196D+01 -0.163768D+01
                21            22            23            24            25 
      1  -0.111020D+01  0.559241D+01 -0.183328D+01 -0.358362D+01  0.460628D+01
      2   0.308429D+01 -0.369008D+01 -0.159382D+01  0.889789D+00 -0.255215D+01
      3   0.252463D+01  0.812038D+01  0.130029D+01 -0.272101D+01  0.148828D+02
                26            27            28            29            30 
      1   0.214418D+01 -0.138606D+01  0.111187D+01  0.483844D+00 -0.249026D+01
      2   0.967698D+00 -0.337386D+00  0.952012D+00  0.210314D+01 -0.282768D+01
      3  -0.849227D+00 -0.429863D+01  0.237901D+02  0.817804D+00 -0.256170D+01
                31            32            33            34            35 
      1  -0.131044D+01  0.453108D+01 -0.814934D+01 -0.490295D+01 -0.184671D+01
      2   0.382391D+01 -0.303319D-01  0.254903D+01 -0.237744D+02  0.289449D+01
      3   0.868876D+01  0.535544D+01  0.796038D+00 -0.518400D+01 -0.196317D+01
                36            37            38            39            40 
      1  -0.328172D+01 -0.164577D+01 -0.124871D+01 -0.130615D+01 -0.575523D+01
      2  -0.226635D+01 -0.316494D+00 -0.252661D+01  0.887379D+01 -0.259839D+01
      3   0.219654D+01 -0.117781D+02 -0.681284D+00  0.290534D+01  0.138046D+02
                41            42            43            44            45 
      1   0.100275D+01  0.715001D+00 -0.185624D+01  0.408967D+01  0.235750D+01
      2   0.135925D+01 -0.195983D+01 -0.759448D+01 -0.787269D+00  0.212873D+01
      3  -0.783940D+00  0.207108D+01 -0.915193D+01  0.330471D+01  0.110064D+01
                46            47            48            49            50 
      1   0.681301D+00  0.178163D+01  0.257397D+01  0.789152D+01  0.112911D+01
      2  -0.122647D+01 -0.211072D+01  0.337919D+01 -0.308753D+01 -0.156336D+01
      3   0.117062D+02 -0.177243D+01 -0.262367D+00  0.132888D+02  0.153314D+01
                51            52            53            54            55 
      1  -0.272378D+01  0.255473D+01  0.368693D+01  0.655165D+00 -0.147224D+01
      2   0.702290D+00 -0.293304D+01  0.107882D+01 -0.910482D+00 -0.410370D+01
      3  -0.393197D+01 -0.979949D+01 -0.186156D+01 -0.944540D+00  0.154181D+02
                56            57            58            59            60 
      1   0.975669D-01 -0.711825D+00  0.992536D-02 -0.546854D+01 -0.111243D+01
      2   0.469368D+00 -0.988805D+00 -0.214277D+01 -0.110496D+02  0.963701D+00
      3   0.996227D+01  0.386136D+00  0.359934D+02 -0.735258D+00  0.646254D+01
                61            62            63            64            65 
      1  -0.429415D+00  0.425962D+01  0.492957D+01  0.186187D+01  0.976732D+00
      2  -0.212100D+02  0.305580D+00  0.206855D+02  0.455547D+01  0.166807D+01
      3   0.926653D+01  0.117886D+02  0.209132D+01 -0.197673D+02 -0.203152D+02
                66            67            68            69            70 
      1  -0.178370D+01 -0.492947D+00 -0.187809D+01 -0.228768D+01  0.348423D+00
      2   0.134528D+02  0.509127D+01  0.109679D+02  0.761347D+00  0.123848D+02
      3  -0.181607D+01 -0.254581D+02  0.683191D+01 -0.940152D+01 -0.100339D+02
                71            72            73            74            75 
      1   0.455962D+01  0.467241D+01  0.244374D+01  0.240894D+01  0.485750D+01
      2   0.365487D+01 -0.346999D+02 -0.134739D+01 -0.407355D+01 -0.496434D+01
      3  -0.138731D+02 -0.292237D+01  0.266145D+02  0.379729D+01  0.477453D+00
                76            77            78            79            80 
      1   0.307637D+01  0.940402D+01  0.200524D+01  0.679403D+01  0.871984D+01
      2  -0.513133D+01 -0.110893D+02 -0.423884D+01 -0.119885D+02 -0.699792D+01
      3   0.104231D+02 -0.741932D+01  0.880329D+01  0.111605D+01  0.122734D+02
                81            82            83            84            85 
      1  -0.121713D+02 -0.434725D+00 -0.329786D+00  0.244474D+00 -0.264310D+00
      2   0.188310D+02 -0.627424D+01 -0.239194D+01 -0.154360D+02 -0.421545D+01
      3   0.312696D+01  0.100612D+02  0.189411D+02  0.295986D+01  0.383743D+02
                86            87            88            89            90 
      1   0.118852D+01 -0.244411D+01  0.578397D+00  0.107374D+01 -0.111043D+01
      2  -0.216102D+02 -0.131993D+01 -0.310252D+02 -0.164463D+01  0.272187D+02
      3  -0.141177D+02  0.223906D+02  0.462869D+01  0.221096D+02  0.208793D+01
                91            92            93            94            95 
      1   0.104668D+01  0.422088D+00  0.199026D+01  0.206570D+01 -0.140828D+01
      2  -0.396570D+01 -0.361045D+01 -0.814477D+00 -0.380010D+01 -0.351249D+01
      3  -0.134562D+01  0.142535D+01  0.299336D+01  0.322299D+02 -0.157697D+02
                96            97            98            99           100 
      1  -0.317813D+01  0.302000D+01  0.516729D+01 -0.168485D+01 -0.795674D+00
      2  -0.693425D+01 -0.162883D+02 -0.695670D+01  0.159141D+02  0.142581D+01
      3  -0.388252D+00  0.154004D+01  0.543267D+01  0.515728D+01  0.126981D+02
               101           102           103           104           105 
      1  -0.539976D+01 -0.487621D+01 -0.636591D+00 -0.325912D+00  0.169293D+01
      2   0.324916D+01  0.464527D+01  0.195297D+01  0.140489D+01  0.114331D+02
      3  -0.149326D+02 -0.484100D+01 -0.775272D+01  0.334960D+01  0.272298D+01
               106           107           108           109           110 
      1  -0.643149D+01  0.853033D+00 -0.379938D+01  0.427970D+01  0.283485D+01
      2  -0.417707D+01  0.948438D+01 -0.173893D+02  0.101793D+02 -0.279495D+01
      3  -0.827315D+01  0.986470D+01 -0.600961D+01 -0.717095D+00 -0.410391D+01
               111           112           113           114           115 
      1   0.379231D+01 -0.348307D+00  0.806974D+00 -0.630481D+01  0.386919D+01
      2   0.897614D+01 -0.100304D+01  0.790011D+01 -0.100853D+02  0.470711D+01
      3   0.637005D+00 -0.379685D+01  0.108970D+02 -0.805426D+01  0.100480D+02
               116           117           118           119           120 
      1   0.470834D+01  0.111665D+02 -0.370448D+01  0.296997D+01  0.151788D+00
      2  -0.646556D+01  0.303141D+02 -0.585352D+01 -0.635590D+00  0.152896D+00
      3  -0.168020D+02  0.567553D+01 -0.937710D+00  0.698787D+01  0.414065D+01
               121           122           123           124           125 
      1   0.136973D+01 -0.561922D+01 -0.299920D+01 -0.240596D+01  0.713132D+01
      2  -0.199267D+01 -0.520741D+01 -0.166450D+01 -0.193986D+01 -0.726298D+01
      3   0.757020D+01 -0.123586D+02  0.353511D+01 -0.245432D+01  0.934231D+01
               126           127           128           129           130 
      1  -0.677977D+01 -0.162092D+01 -0.188186D+01  0.976736D+00 -0.590653D-01
      2  -0.150752D+02  0.463443D+01  0.833901D+00 -0.119660D+01  0.216675D+00
      3   0.818280D+01 -0.168527D+00 -0.903619D+00  0.765544D+00  0.117127D+01
               131           132           133           134           135 
      1  -0.123870D+01 -0.320182D+00  0.305639D+01  0.556056D+01 -0.470261D+01
      2  -0.122071D+00  0.532745D+00 -0.503308D+01 -0.648427D+00 -0.164614D+01
      3  -0.406558D+00  0.310327D+00  0.843279D+00  0.221367D+01 -0.156104D+01
               136           137           138           139           140 
      1  -0.263670D+01  0.300937D+01 -0.712718D+00  0.958386D+00 -0.126096D+01
      2  -0.854405D+01  0.197278D+01 -0.122924D+01  0.221284D+01 -0.633551D+00
      3   0.626368D+00 -0.160012D+01  0.745272D+00  0.919063D+00  0.110172D+01
               141           142           143           144           145 
      1  -0.727627D+00 -0.173006D+01  0.394806D+01 -0.271619D+01  0.174682D+01
      2  -0.533382D-01 -0.386797D+01  0.220995D+00  0.831911D+00  0.438027D+01
      3  -0.291565D+00  0.762034D+00 -0.261312D+01  0.173209D+01  0.281345D+01
               146           147           148           149           150 
      1  -0.991712D+00 -0.221367D+01  0.113549D+01  0.144157D+00 -0.369326D+01
      2   0.523999D+00 -0.104844D+01  0.390648D+00 -0.100378D+00  0.606410D+00
      3  -0.654981D-01 -0.207940D+01  0.182269D+01 -0.330390D+00 -0.648711D+00
               151           152           153           154           155 
      1  -0.159445D+01  0.242318D+01  0.542536D+01  0.248332D+01  0.143072D+01
      2  -0.438111D+01 -0.285464D+00 -0.119627D+01 -0.557261D+01  0.416722D+00
      3  -0.225193D+01  0.915757D+00  0.180684D+01 -0.508674D+01 -0.723225D+00
               156           157           158           159           160 
      1   0.217996D+01 -0.133401D+01  0.197104D+00 -0.374737D+01  0.219047D+01
      2  -0.617423D+00  0.932708D+00  0.141923D+00 -0.961990D+00 -0.321714D+01
      3  -0.238971D+01  0.388415D+01  0.679967D+00  0.944395D+00 -0.293747D+01
               161           162           163           164           165 
      1   0.152293D+01  0.396416D+01 -0.147145D+01 -0.624817D+00  0.114885D+01
      2  -0.186758D+00  0.203294D+01 -0.583221D+01  0.522474D+00  0.517250D+01
      3  -0.133062D+01 -0.173798D+01 -0.159641D+01 -0.341117D+01  0.755566D+00
               166           167           168           169           170 
      1   0.301404D-01 -0.301968D+00 -0.787459D+00  0.235251D+01  0.216423D+01
      2   0.467706D+00 -0.147405D+01  0.643510D+00  0.217480D+01 -0.388302D+01
      3  -0.316714D+01  0.411081D+00  0.197085D+01  0.302843D+01  0.390220D+01
               171           172           173           174           175 
      1  -0.666473D+01  0.115789D+01 -0.111822D+01  0.144758D+01 -0.166528D+01
      2  -0.210026D+02  0.477710D+01 -0.154461D+01  0.331241D+01 -0.252351D+01
      3   0.229632D+00  0.118661D+01 -0.702043D+01 -0.213214D+00 -0.420106D+01
               176           177           178           179           180 
      1   0.376401D+01 -0.346236D+01  0.158564D+01 -0.124522D+01  0.111710D+01
      2   0.585582D+01 -0.355782D+01  0.351035D+01 -0.418506D+01  0.853066D+00
      3   0.186935D+02 -0.216175D+01 -0.306647D+01 -0.663765D+01  0.200577D+01
               181           182           183           184           185 
      1  -0.203838D+01 -0.133261D+01  0.930111D+00 -0.825782D+00 -0.326701D+00
      2   0.758597D+01  0.531924D+00 -0.463652D+01  0.158693D+01  0.372171D+01
      3   0.201163D+01  0.225440D+01  0.296174D+00  0.500465D+01 -0.814882D+00
               186           187           188           189           190 
      1  -0.467850D+00  0.150743D+01  0.351286D+01 -0.423750D+01 -0.131993D+00
      2  -0.689106D+00 -0.892615D+01 -0.110497D+01  0.308767D+02 -0.112396D+01
      3  -0.299651D+01 -0.550115D-01 -0.346440D+01 -0.482054D-01 -0.271872D+02
               191           192           193           194           195 
      1   0.239420D+00  0.222792D+01 -0.280991D-01 -0.104011D+01 -0.126091D+01
      2   0.549220D+00 -0.184139D+00  0.612565D+00  0.108624D+01  0.243677D+00
      3   0.621957D+01  0.951269D+00  0.683232D+01 -0.425742D+01 -0.136766D+01
               196           197           198           199           200 
      1   0.223883D+01  0.329449D+00  0.660602D+00  0.234641D+01 -0.879413D-01
      2  -0.358576D+01  0.131155D+01 -0.957951D+00 -0.364404D+01 -0.105482D+01
      3   0.115136D+01 -0.246537D+01 -0.293551D+01 -0.270325D+01 -0.316582D+01
               201           202           203           204           205 
      1  -0.290758D+01  0.216301D+00  0.123362D+01 -0.230927D+01 -0.298596D+01
      2   0.487513D+01 -0.254009D+00 -0.237430D+01  0.159367D+01  0.884027D+00
      3  -0.579019D+00 -0.528521D+00 -0.176340D+01  0.237320D+01 -0.216153D+01
               206           207           208           209           210 
      1  -0.339556D+00  0.155268D+02 -0.280034D+01 -0.223753D+01 -0.386864D+01
      2   0.629595D+01 -0.230500D+02  0.366676D+01  0.315649D+01  0.479004D+01
      3   0.681599D+01 -0.506609D+01 -0.484645D+01 -0.875991D+01 -0.637992D+00
               211           212           213           214           215 
      1  -0.349145D+01 -0.583924D+01 -0.597745D+01 -0.355993D+01 -0.355300D+01
      2   0.331572D+01  0.783795D+01  0.598939D+01  0.372569D+01  0.703400D+01
      3  -0.353083D+01 -0.194248D+02 -0.514791D+01 -0.858741D+00 -0.102505D+02
               216           217           218           219           220 
      1  -0.360491D+01  0.279905D+00 -0.509023D+00 -0.491730D-01  0.485164D-01
      2   0.447864D+01 -0.952934D+01  0.298693D+00  0.113273D+02  0.110958D-01
      3  -0.457526D+01 -0.705150D+00 -0.461815D+01 -0.404082D+00 -0.544721D+01
               221           222           223           224           225 
      1   0.501874D-01 -0.830715D+00 -0.577824D+00  0.255731D+01  0.936437D+00
      2  -0.269677D+01  0.662189D+00  0.162192D+02  0.935555D-03 -0.368349D+02
      3   0.104663D+01  0.247028D+01 -0.768321D+00  0.603293D+01 -0.246366D+00
               226           227           228           229           230 
      1  -0.756582D+00  0.731057D+00  0.459525D+00  0.868372D+00 -0.254329D+01
      2   0.456330D+01 -0.259775D+01  0.541784D+01 -0.401000D+01  0.108733D+02
      3   0.990044D+01 -0.115866D+02  0.312502D+01 -0.154244D+02  0.344153D+02
               231           232           233           234           235 
      1  -0.168179D+01 -0.304162D+00  0.183644D+01  0.158832D+00  0.275566D+00
      2  -0.954796D+01  0.711070D+01 -0.757395D+01  0.589342D+01  0.840375D+01
      3  -0.113433D+02  0.446265D+01 -0.126920D+02  0.740011D+01 -0.127231D+02
               236           237           238           239           240 
      1   0.872366D+00 -0.950378D+00  0.436739D+00  0.121142D+01 -0.152710D+01
      2   0.434083D+01  0.938951D+01  0.697081D+01  0.981950D+01  0.100189D+02
      3  -0.131435D+02 -0.492813D+01 -0.175060D+02 -0.207264D+02 -0.106047D+02
               241           242           243           244           245 
      1  -0.548116D+00  0.153281D+01 -0.707522D+00  0.437332D+00 -0.419908D+00
      2   0.116253D+02  0.751656D+01  0.901834D+01 -0.595708D+01 -0.666168D-01
      3  -0.698212D+01 -0.121436D+02 -0.757786D+01 -0.261084D+01 -0.200073D+01
               246           247           248           249           250 
      1  -0.869381D+00 -0.704999D-01  0.106112D+00 -0.924231D+00 -0.131661D+01
      2   0.386402D+01  0.157643D+00 -0.283073D+01  0.445555D+01  0.149073D+01
      3  -0.572270D+00 -0.108606D+01 -0.125030D+01  0.302234D+01 -0.110331D+01
               251           252           253           254           255 
      1   0.267361D+01  0.341188D+01 -0.252580D+01  0.121481D+01 -0.258713D+01
      2   0.367529D+01 -0.197842D+02  0.154002D+02  0.406132D+01  0.679997D+01
      3   0.381404D+01 -0.220984D+01 -0.161747D+02 -0.168421D+02 -0.772593D-01
               256           257           258           259           260 
      1  -0.143231D+01 -0.678821D+01 -0.394133D+01 -0.949041D+00  0.140082D+01
      2   0.505920D+01  0.551218D+01  0.649260D+01  0.450277D+01  0.549396D+01
      3  -0.766497D+01  0.217839D+02 -0.433893D+01  0.967425D+00 -0.740971D+01
               261           262           263           264           265 
      1   0.955315D+01  0.989191D+00 -0.176969D+01  0.545373D+00 -0.287589D+01
      2  -0.191258D+02 -0.566114D+00  0.192826D+00  0.112382D+01 -0.110811D+00
      3  -0.471914D+01  0.309722D+01 -0.472714D+01 -0.180918D+01 -0.451277D+01
               266           267           268           269           270 
      1   0.903402D+01 -0.170059D+01  0.557014D+00 -0.131433D+01  0.100381D+01
      2  -0.278947D+01 -0.479043D+01  0.409953D+00 -0.173692D+01 -0.649243D+00
      3   0.270105D+02  0.491000D+01  0.145280D+01 -0.476781D+01  0.155407D+01
               271           272           273           274           275 
      1   0.120786D+01  0.565900D+00 -0.228641D+01  0.921027D+00  0.734579D+00
      2  -0.822774D+01 -0.317812D+00  0.787602D+01 -0.920079D+00 -0.157761D+01
      3   0.150853D+02 -0.576752D+01 -0.111593D+01 -0.369287D+01 -0.489050D+00
               276           277           278           279           280 
      1  -0.234537D+00 -0.223657D+01  0.620347D+00 -0.186601D+00  0.157923D+01
      2  -0.567859D+00  0.461952D+01 -0.899621D-01 -0.157773D+00 -0.122863D+01
      3   0.962299D+00 -0.126806D+01  0.200557D+01  0.192637D+01 -0.571930D+01
               281           282           283           284           285 
      1  -0.974662D+00  0.176198D+01 -0.469596D+00  0.545850D+01 -0.418368D+01
      2  -0.101541D+01 -0.133033D+01 -0.827202D+00 -0.239622D+00  0.299161D+01
      3   0.911371D+01 -0.317849D+00  0.561442D+01 -0.322145D+02  0.879688D+00
               286           287           288           289           290 
      1   0.788686D+00 -0.135334D+01  0.485103D+00 -0.184904D+01 -0.622801D+00
      2  -0.170778D+01  0.291243D+01  0.532181D+00  0.444875D+01  0.255430D-01
      3  -0.137712D+01  0.448540D+01 -0.332412D+01  0.161011D+01  0.112863D+01
               291           292           293           294           295 
      1   0.665022D+00 -0.295898D+00 -0.248459D+01  0.958927D+00 -0.151043D+00
      2  -0.194110D+01  0.133517D+01  0.223532D+01 -0.306810D+01 -0.200341D+01
      3   0.120465D+01  0.114252D+01  0.605698D+00 -0.188661D+01  0.148679D+01
               296           297 
      1   0.335554D+01 -0.119068D+02
      2   0.841247D-01  0.257015D+02
      3  -0.429268D+01  0.730616D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.110363D+01 -0.815419D+01  0.227694D+02  0.162605D+02 -0.290134D+01
      2   0.643082D+01  0.335490D+01 -0.872619D+01 -0.386958D+01  0.487871D+01
      3  -0.532720D+01  0.479929D+01 -0.140432D+02 -0.123909D+02 -0.197738D+01
      4  -0.154260D+01  0.243876D+01  0.205424D+00  0.882142D+01  0.445523D+01
      5   0.205876D+02  0.103763D+01 -0.711480D+01 -0.510085D+01 -0.225128D+01
      6  -0.465400D+00 -0.316573D+01  0.854880D+00 -0.746149D+00  0.360602D+01
                 6             7             8             9            10 
      1  -0.168535D+02 -0.233260D+02 -0.101548D+02  0.524692D+01  0.476321D+02
      2   0.131962D+01  0.333887D+01  0.181859D+01  0.412677D+01 -0.182350D+02
      3   0.155339D+02  0.199871D+02  0.833622D+01 -0.937369D+01 -0.293971D+02
      4  -0.398014D+01  0.391408D+01 -0.255438D+01 -0.495338D+01 -0.123824D+02
      5  -0.360618D+01  0.916873D+01 -0.451985D+01  0.636935D+01 -0.541755D+01
      6   0.119271D+02 -0.716058D+01  0.620297D+01  0.151692D+02  0.231029D+01
                11            12            13            14            15 
      1   0.775076D+01 -0.876111D+00  0.100224D+02 -0.105091D+01  0.654965D+01
      2  -0.699347D+01  0.276027D+01 -0.945096D+01  0.646171D+01 -0.119821D+01
      3  -0.757291D+00 -0.188416D+01 -0.571428D+00 -0.541080D+01 -0.535144D+01
      4   0.226062D+01 -0.321998D+01  0.173241D+02 -0.505730D+01 -0.511424D+00
      5  -0.382779D+01  0.623267D+01  0.108088D+02 -0.431336D+00 -0.160593D+01
      6  -0.363034D-01 -0.662932D+01 -0.484695D+01  0.424291D+01  0.861233D+01
                16            17            18            19            20 
      1  -0.983571D+01  0.721679D+01 -0.195933D+02 -0.742597D+00  0.527000D+01
      2  -0.612148D+00  0.505921D+01  0.205099D+01 -0.166640D+01 -0.188130D+01
      3   0.104479D+02 -0.122760D+02  0.175423D+02  0.240899D+01 -0.338870D+01
      4   0.146899D+02  0.134061D+01 -0.230941D+01  0.435322D+01 -0.238544D+00
      5  -0.147592D+02 -0.181370D+01 -0.451439D+01 -0.179412D+02  0.241099D+01
      6  -0.453521D+01  0.602565D+00 -0.581873D+01  0.344174D+01  0.505215D+01
                21            22            23            24            25 
      1  -0.271835D+02 -0.927725D+01 -0.530405D+01 -0.614673D+01  0.238810D+02
      2   0.777970D+01 -0.154315D+01  0.677227D+01 -0.345527D+00 -0.856002D+00
      3   0.194038D+02  0.108204D+02 -0.146821D+01  0.649226D+01 -0.230250D+02
      4   0.206508D+01  0.359636D+01 -0.132586D+01  0.370067D+01  0.454111D+01
      5  -0.189828D+01  0.138120D+01  0.186515D+01  0.574661D+01  0.120729D+02
      6   0.493880D+01  0.294281D+01  0.245612D+01  0.788196D+01  0.101857D+02
                26            27            28            29            30 
      1  -0.850752D+01  0.893114D+01  0.131930D+02 -0.634130D-01  0.822809D+00
      2   0.109026D+01 -0.252746D+01 -0.240948D+01  0.490168D+01  0.987260D+00
      3   0.741726D+01 -0.640368D+01 -0.107835D+02 -0.483827D+01 -0.181007D+01
      4   0.391698D+01  0.738688D+01  0.242644D+02  0.287899D+01 -0.165917D+01
      5   0.545927D+01 -0.470931D+01  0.191589D+01 -0.102097D+01  0.718457D+01
      6   0.264634D+01  0.109198D+02  0.330181D+01 -0.137413D+01  0.391953D+01
                31            32            33            34            35 
      1   0.362714D+00 -0.246151D+01  0.819576D+01 -0.893959D+01  0.993212D+01
      2   0.576374D+01  0.513311D+01 -0.200412D+01  0.188546D+01  0.380872D+01
      3  -0.612646D+01 -0.267160D+01 -0.619164D+01  0.705413D+01 -0.137408D+02
      4   0.147936D+02 -0.238567D+00  0.186257D+01  0.113206D+02  0.500892D+01
      5   0.118035D+02  0.571777D+00  0.179600D+01 -0.178155D+02  0.214157D+01
      6  -0.120227D+01  0.401492D+01  0.603902D+01 -0.155024D+01  0.864063D+00
                36            37            38            39            40 
      1  -0.227654D+02  0.111349D+02 -0.138182D+02  0.250983D+02  0.473643D+01
      2   0.354832D+01  0.323699D+00  0.120680D+02 -0.122797D+02  0.440204D+01
      3   0.192171D+02 -0.114586D+02  0.175019D+01 -0.128186D+02 -0.913847D+01
      4   0.857119D-01 -0.102847D+02 -0.105225D+01  0.423966D+01  0.150283D+02
      5  -0.311703D+01  0.147611D+02  0.204882D+01 -0.888462D+01 -0.244655D+01
      6  -0.808088D+01 -0.110158D+00 -0.547283D+01  0.551592D+01 -0.612176D+00
                41            42            43            44            45 
      1  -0.104985D+02 -0.790246D+01 -0.175006D+02 -0.560242D+01  0.977620D+01
      2   0.169343D+02 -0.101548D+02  0.132149D+01 -0.385268D+01 -0.123616D+01
      3  -0.643581D+01  0.180572D+02  0.161791D+02  0.945510D+01 -0.854004D+01
      4   0.669387D+01 -0.313429D+01 -0.436615D+01 -0.270947D+01 -0.637158D+01
      5  -0.173368D+01 -0.290138D+01  0.745057D+01 -0.577917D+01  0.842435D+01
      6  -0.614427D+01  0.606368D+01 -0.987641D+01  0.144732D+01  0.951026D+01
                46            47            48            49            50 
      1  -0.950018D+01  0.104651D+02 -0.265984D+02 -0.682888D+01 -0.159631D+02
      2   0.248370D+01 -0.905333D+01  0.861207D+01 -0.507171D+01  0.226467D+02
      3   0.701647D+01 -0.141177D+01  0.179864D+02  0.119006D+02 -0.668357D+01
      4   0.102857D+02  0.572670D-01  0.412269D+01  0.566079D+01 -0.623905D+01
      5  -0.152698D+02  0.482601D+01 -0.327704D+01  0.512938D+01  0.164779D+01
      6   0.404373D+01  0.511525D+01 -0.413859D+01 -0.355584D+00 -0.557023D+01
                51            52            53            54            55 
      1   0.221863D+01  0.358402D+02 -0.449130D+01  0.993694D+01 -0.363789D+02
      2  -0.981982D+01 -0.855292D+01 -0.101786D+01 -0.526631D+01  0.119768D+02
      3   0.760119D+01 -0.272872D+02  0.550916D+01 -0.467063D+01  0.244021D+02
      4   0.111043D+01 -0.413102D+01  0.193749D+00  0.778270D+01  0.176915D+01
      5   0.611858D+01  0.423111D+01  0.664749D+01 -0.657626D+01 -0.320141D+01
      6   0.402072D+01  0.116808D+02 -0.229508D+01  0.831329D+01  0.208718D+01
                56            57            58            59            60 
      1  -0.967404D+01 -0.401855D+01 -0.402265D+02 -0.297382D+02 -0.454983D+01
      2   0.729018D+01 -0.118666D+01  0.281894D+02  0.279276D+01  0.485251D+01
      3   0.238386D+01  0.520521D+01  0.120370D+02  0.269454D+02 -0.302682D+00
      4  -0.253154D+02 -0.217890D+00 -0.510492D+02  0.264212D+02 -0.128772D+02
      5  -0.634024D+00 -0.104871D+02 -0.431170D+01 -0.131430D+02 -0.185564D+00
      6   0.684590D+00  0.153832D+01 -0.542392D+00  0.410172D+01  0.460146D-02
                61            62            63            64            65 
      1  -0.302617D+02 -0.751609D+01 -0.773288D+01 -0.546843D+02  0.157013D+02
      2   0.467283D+01  0.734849D+01  0.124629D+02  0.344374D+02 -0.294843D+01
      3   0.255889D+02  0.167601D+00 -0.472998D+01  0.202469D+02 -0.127529D+02
      4  -0.500215D+01 -0.229430D+02  0.655369D+01  0.172665D+02  0.287655D+02
      5  -0.248642D+02  0.367542D+01  0.396770D+02 -0.414523D+00  0.350443D+01
      6   0.384940D+01 -0.176677D+01 -0.734100D+01  0.871517D+00 -0.209891D+01
                66            67            68            69            70 
      1  -0.155036D+01  0.521711D+02  0.507762D+02  0.683100D-01  0.219671D+02
      2  -0.203007D+01 -0.220957D+02 -0.280535D+02  0.210898D+01 -0.874605D+01
      3   0.358043D+01 -0.300753D+02 -0.227226D+02 -0.217729D+01 -0.132211D+02
      4   0.305906D+01  0.463154D+02 -0.143434D+02  0.170944D+02  0.675164D+01
      5   0.184625D+02  0.770180D+01  0.193454D+02  0.305593D+01  0.353202D+02
      6   0.329640D+01  0.277638D+01  0.482669D+01 -0.633943D+00  0.299922D+01
                71            72            73            74            75 
      1   0.190713D+01  0.354338D+02  0.540431D+02 -0.702525D+01 -0.807697D+01
      2   0.361764D+01 -0.895384D+01 -0.375157D+02 -0.831688D+01 -0.683610D-01
      3  -0.552477D+01 -0.264800D+02 -0.165274D+02  0.153421D+02  0.814533D+01
      4   0.225422D+02  0.584801D+01 -0.422713D+01 -0.320649D+02 -0.849116D+01
      5   0.504422D+01 -0.584369D+02 -0.784476D+01 -0.606111D+01 -0.131852D+02
      6   0.444243D+01 -0.693466D+01 -0.743280D+01 -0.269062D+01 -0.961737D+01
                76            77            78            79            80 
      1  -0.103696D+02 -0.331118D+02  0.347846D+01 -0.127560D+02  0.263145D+01
      2  -0.786099D+01  0.129008D+02 -0.125498D+02 -0.141717D+01 -0.158271D+02
      3   0.182306D+02  0.202111D+02  0.907131D+01  0.141732D+02  0.131956D+02
      4  -0.375211D+02 -0.138529D+02 -0.218869D+02 -0.915041D+01 -0.311507D+02
      5  -0.679580D+01 -0.214673D+02 -0.860539D+01 -0.211387D+02 -0.154701D+02
      6  -0.559736D+01 -0.176336D+02 -0.494856D+01 -0.114360D+02 -0.960963D+01
                81            82            83            84            85 
      1  -0.859711D+01  0.595282D+02 -0.196494D+02 -0.556126D+01 -0.319211D+02
      2   0.835897D+01 -0.320802D+02  0.945762D+01  0.121374D+01  0.151386D+02
      3   0.238141D+00 -0.274480D+02  0.101918D+02  0.434752D+01  0.167824D+02
      4  -0.205945D+02 -0.224813D+02 -0.402063D+02 -0.621601D+01 -0.631022D+02
      5   0.416105D+02 -0.902401D+01 -0.675589D+01 -0.337620D+02 -0.112003D+02
      6   0.210908D+02 -0.177623D+01 -0.498801D+01 -0.201762D+01 -0.959190D+01
                86            87            88            89            90 
      1  -0.556245D+02 -0.706066D+01 -0.169295D+02 -0.625225D+01 -0.453495D+02
      2   0.271600D+02  0.264906D+01  0.447679D+01  0.214625D+01  0.253501D+02
      3   0.284645D+02  0.441160D+01  0.124527D+02  0.410600D+01  0.199994D+02
      4   0.234949D+02 -0.430084D+02 -0.100533D+02 -0.413911D+02 -0.529175D+01
      5  -0.460432D+02 -0.463877D+01 -0.542595D+02 -0.422708D+01  0.511732D+02
      6   0.354798D+00 -0.522757D+01 -0.350823D+01 -0.553037D+01  0.141566D+01
                91            92            93            94            95 
      1   0.136789D+02 -0.450463D+01 -0.170057D+01 -0.119977D+02 -0.177352D+02
      2  -0.972395D+01 -0.211979D+01 -0.111088D+01  0.500671D+01  0.757796D+01
      3  -0.395497D+01  0.662441D+01  0.281145D+01  0.699099D+01  0.101573D+02
      4  -0.199286D+02 -0.176799D+02 -0.799037D+01 -0.408089D+02  0.150610D+02
      5  -0.718071D+01 -0.711421D+01 -0.976591D+01 -0.127208D+02 -0.329947D+01
      6  -0.452138D+01 -0.243986D+01 -0.440384D+01 -0.255864D+01 -0.559621D+01
                96            97            98            99           100 
      1  -0.609483D+01 -0.165289D+02 -0.800820D+01 -0.248400D+01 -0.439747D+01
      2  -0.575485D-01  0.159830D+00 -0.189654D+01  0.786378D+01  0.103509D+01
      3   0.615238D+01  0.163690D+02  0.990473D+01 -0.537978D+01  0.336238D+01
      4  -0.302081D+01 -0.184823D+02 -0.158172D+02 -0.166209D+02  0.112946D+02
      5  -0.139121D+02 -0.163255D+02 -0.153721D+02  0.316772D+02 -0.159706D+02
      6  -0.311479D+01 -0.821326D+01 -0.319629D+01  0.886346D+01  0.536699D+01
               101           102           103           104           105 
      1   0.488639D+01 -0.818715D+01  0.164655D+02  0.464035D+01  0.902063D+01
      2  -0.433739D+00  0.548100D+01 -0.122645D+02  0.789910D+00 -0.319200D+01
      3  -0.445265D+01  0.270615D+01 -0.420103D+01 -0.543026D+01 -0.582862D+01
      4   0.348468D+00  0.701640D+01 -0.865323D+00 -0.158970D+02 -0.272495D+01
      5   0.630822D+01 -0.319234D+01  0.782503D+01 -0.272181D+01  0.215358D+02
      6  -0.512166D+01  0.625007D+01 -0.150581D+01 -0.115232D+01 -0.142377D+02
               106           107           108           109           110 
      1  -0.225777D+02  0.969675D+01 -0.587964D+01  0.431264D+02 -0.129597D+02
      2   0.946430D+01  0.961259D+00  0.282470D+01 -0.210605D+02  0.436308D+01
      3   0.131134D+02 -0.106580D+02  0.305495D+01 -0.220659D+02  0.859661D+01
      4   0.180498D+02 -0.125983D+02  0.205760D+02 -0.242183D+02  0.195140D+02
      5  -0.182548D+02  0.182014D+02 -0.249078D+02  0.316259D+02 -0.651106D+01
      6   0.110314D+02 -0.162855D+02  0.668055D+01 -0.112218D+02  0.394824D+01
               111           112           113           114           115 
      1   0.247230D+02 -0.143976D+02  0.378905D+01 -0.186283D+01  0.379146D+02
      2  -0.144491D+02  0.211864D+01  0.750347D+01 -0.126482D+01 -0.195277D+02
      3  -0.102739D+02  0.122789D+02 -0.112925D+02  0.312765D+01 -0.183870D+02
      4  -0.104302D+02  0.251423D+02 -0.222265D+02  0.184802D+02 -0.226117D+02
      5   0.229363D+02 -0.121144D+02  0.177860D+02 -0.192490D+02  0.352329D+02
      6  -0.774760D+01  0.607229D+01 -0.115303D+02  0.176519D+02 -0.111720D+02
               116           117           118           119           120 
      1  -0.336119D+01  0.114640D+02 -0.380133D+00 -0.915452D+01 -0.128780D+02
      2  -0.283385D+01 -0.149461D+02 -0.317324D+01  0.118986D+02  0.804076D+01
      3   0.619504D+01  0.348202D+01  0.355337D+01 -0.274404D+01  0.483724D+01
      4   0.291803D+02 -0.187351D+02  0.143982D+01 -0.733436D+01  0.352554D+01
      5  -0.170363D+02  0.593831D+02 -0.863531D+01 -0.104339D+01  0.583337D+01
      6   0.156443D+02 -0.275896D+02  0.366351D+01  0.503188D+01  0.103660D+01
               121           122           123           124           125 
      1  -0.235713D+01 -0.747135D+01 -0.553312D+01 -0.114806D+02 -0.798640D+01
      2   0.112812D+02 -0.122541D+02  0.292849D+01  0.609761D+01  0.792018D+01
      3  -0.892406D+01  0.197255D+02  0.260463D+01  0.538304D+01  0.662213D-01
      4  -0.938731D+01  0.375234D+02 -0.445242D+01  0.126411D+02 -0.189471D+02
      5   0.162197D+01 -0.362091D+01 -0.413451D+01  0.159811D+02 -0.171866D+02
      6   0.272387D+01  0.263179D+01  0.103858D+02 -0.590431D+01  0.196486D+02
               126           127           128           129           130 
      1  -0.948093D+01 -0.813889D+00 -0.274359D+00  0.341082D+01 -0.305034D+01
      2  -0.610931D+01 -0.540855D+01 -0.118796D+01  0.536896D+01 -0.607445D+00
      3   0.155902D+02  0.622244D+01  0.146232D+01 -0.877978D+01  0.365778D+01
      4  -0.153083D+02  0.707071D+00  0.217082D+01 -0.875186D+00  0.109714D+01
      5  -0.328872D+02 -0.922278D+01 -0.263153D+01  0.116914D+02 -0.294949D+01
      6   0.222262D+02  0.889794D-01 -0.180324D+01 -0.545023D+00 -0.132177D+01
               131           132           133           134           135 
      1  -0.381691D+01  0.787574D+01  0.375169D+01  0.487128D+01 -0.245293D+02
      2  -0.574408D+00  0.313584D+01  0.660419D+01  0.188960D+01 -0.146130D+02
      3   0.439132D+01 -0.110116D+02 -0.103559D+02 -0.676089D+01  0.391423D+02
      4   0.102245D+01 -0.150207D+01 -0.227380D+01 -0.345563D+01  0.194088D+01
      5  -0.286108D+01  0.426940D+01  0.118617D+02  0.406682D+01 -0.189672D+02
      6  -0.309527D+01  0.232125D+01  0.102721D+01  0.557733D+01 -0.284025D+01
               136           137           138           139           140 
      1   0.420026D+01 -0.274608D+00 -0.144918D+01 -0.831653D-01 -0.194456D+01
      2  -0.612926D+01  0.951326D+00 -0.430156D+01  0.210489D+01 -0.349163D+00
      3   0.192900D+01 -0.676718D+00  0.575074D+01 -0.202173D+01  0.229372D+01
      4  -0.309362D+01  0.389978D+01 -0.120799D+01  0.249245D+01 -0.312187D+01
      5   0.118758D+02 -0.306200D+01  0.101046D+02 -0.475345D+01  0.342712D+01
      6  -0.514168D+00  0.185547D+01 -0.880377D+00  0.929337D+00 -0.293524D+01
               141           142           143           144           145 
      1   0.489584D+01 -0.393038D+01  0.430022D+01 -0.123822D+02 -0.273085D+01
      2   0.230344D+01 -0.540858D+01  0.104358D+01 -0.844524D+01 -0.292258D+01
      3  -0.719928D+01  0.933896D+01 -0.534380D+01  0.208275D+02  0.565343D+01
      4   0.157077D+01 -0.162050D+01  0.303126D+01 -0.270646D+01  0.537714D+01
      5  -0.567899D+01  0.125244D+02 -0.445086D+01  0.160043D+02 -0.945222D+01
      6   0.213953D+01 -0.182729D+01  0.477716D+01 -0.361350D+01 -0.587263D+01
               146           147           148           149           150 
      1  -0.186768D+01  0.557373D+01 -0.292119D+01 -0.515012D+01  0.937942D+01
      2   0.434382D+00  0.303350D+01 -0.438835D+00  0.924122D+00  0.411758D+00
      3   0.143330D+01 -0.860723D+01  0.336003D+01  0.422600D+01 -0.979118D+01
      4   0.383181D+01 -0.541451D+01  0.236223D+01  0.206064D+01 -0.302596D+01
      5  -0.356169D+01  0.121751D+02 -0.342461D+01 -0.290256D+01  0.446554D+01
      6  -0.363548D+01  0.617471D+01 -0.316167D+01 -0.563917D+01  0.920147D+01
               151           152           153           154           155 
      1   0.796787D+01  0.109574D+02 -0.302430D+02  0.240948D+01  0.249266D+01
      2   0.224951D+01 -0.280969D+01 -0.618289D+01 -0.323248D+01 -0.238104D+01
      3  -0.102174D+02 -0.814768D+01  0.364259D+02  0.822998D+00 -0.111618D+00
      4  -0.587975D+01 -0.524476D+01  0.809225D+01 -0.108938D+02  0.751371D+01
      5   0.113426D+02  0.544909D+01 -0.183263D+02  0.158234D+02 -0.602914D+01
      6   0.861675D+01  0.127927D+02 -0.236561D+02 -0.922733D+01  0.595157D+01
               156           157           158           159           160 
      1  -0.190547D+01  0.617708D+00 -0.385197D+01  0.567763D+01 -0.415445D+01
      2  -0.231546D+01  0.739913D+00  0.195884D+01 -0.758500D-01 -0.258233D+01
      3   0.422093D+01 -0.135762D+01  0.189313D+01 -0.560178D+01  0.673678D+01
      4  -0.841336D+01  0.541122D+01 -0.573741D+01  0.599737D+01 -0.889716D+01
      5   0.139487D+02 -0.696526D+01  0.525698D+01 -0.818074D+01  0.152549D+02
      6  -0.876830D+01  0.548545D+01 -0.636427D+01  0.867468D+01 -0.104466D+02
               161           162           163           164           165 
      1   0.821962D+01 -0.157996D+02  0.647840D+01  0.184724D+00 -0.791662D+01
      2  -0.356927D+01 -0.267451D+01 -0.750849D+01 -0.548948D+00  0.676552D+01
      3  -0.465035D+01  0.184741D+02  0.103008D+01  0.364224D+00  0.115110D+01
      4   0.739491D+01 -0.108350D+02 -0.191892D+01  0.682984D+01  0.403405D+01
      5  -0.778225D+01  0.204379D+02 -0.141944D+02  0.252626D+01  0.148949D+02
      6   0.116879D+02 -0.185527D+02  0.224922D+01 -0.137832D+01 -0.216008D+01
               166           167           168           169           170 
      1   0.782396D+01  0.167662D+01 -0.197061D+01 -0.141664D+02 -0.306405D+01
      2  -0.509072D+01 -0.671722D+00  0.134715D+01  0.133340D+02  0.379496D+00
      3  -0.273325D+01 -0.100490D+01  0.623458D+00  0.832318D+00  0.268456D+01
      4   0.752893D+01 -0.430433D+01 -0.485633D+01  0.562793D+01 -0.808574D+01
      5  -0.741014D+00 -0.516021D+01  0.114714D+01  0.223828D+02 -0.817082D+01
      6  -0.155044D+01  0.147702D+01  0.531717D+01 -0.520786D+01  0.657260D+01
               171           172           173           174           175 
      1  -0.576239D+01  0.209695D+02 -0.917112D+01  0.393571D+01 -0.138670D+02
      2  -0.140142D+02 -0.371878D+01 -0.468629D+00 -0.936127D+00 -0.323967D+01
      3   0.197766D+02 -0.172507D+02  0.963975D+01 -0.299958D+01  0.171066D+02
      4  -0.110912D+02 -0.219851D+02  0.242559D+02 -0.176477D+01  0.351251D+02
      5  -0.455610D+02  0.471495D+01 -0.506784D+00  0.501278D+01 -0.102200D+01
      6   0.124578D+02 -0.111006D+01 -0.236559D+00 -0.123952D+01  0.403202D+00
               176           177           178           179           180 
      1  -0.160558D+00  0.521335D+00  0.185046D+02  0.112912D+01  0.156963D+01
      2   0.221820D+02 -0.269579D+01 -0.535730D+01 -0.472699D+01 -0.191936D+00
      3  -0.220215D+02  0.217445D+01 -0.131473D+02  0.359787D+01 -0.137770D+01
      4  -0.531304D+02  0.637685D+01 -0.913032D+01  0.158907D+02 -0.908892D+01
      5   0.571013D+01 -0.558301D+01  0.894784D+01 -0.783843D+01  0.214560D+01
      6  -0.117275D+01  0.462789D+01 -0.341970D+01  0.558832D+01 -0.211165D+01
               181           182           183           184           185 
      1  -0.701740D+00 -0.252061D+01  0.119273D+02 -0.751530D+01 -0.113490D+02
      2  -0.362918D+01  0.234488D+00 -0.348779D+01  0.298102D+01  0.504945D+01
      3   0.433092D+01  0.228612D+01 -0.843951D+01  0.453428D+01  0.629951D+01
      4  -0.416582D+01 -0.370495D+01  0.187151D+00 -0.304998D+01  0.111517D+01
      5   0.808036D+01 -0.136772D+00 -0.188303D+01  0.108993D+01  0.490873D+01
      6   0.151263D+01  0.139761D+00 -0.140229D+01 -0.434442D+00  0.158258D+00
               186           187           188           189           190 
      1  -0.208958D+00  0.203503D+02 -0.411836D+00 -0.245612D+02 -0.565059D+02
      2   0.899148D+00 -0.869795D+01  0.120867D+01 -0.904875D+01  0.329321D+02
      3  -0.690189D+00 -0.116523D+02 -0.796833D+00  0.336099D+02  0.235738D+02
      4   0.443291D+01  0.153844D+01  0.584899D+01 -0.220511D+01 -0.173316D+02
      5  -0.547473D+00 -0.100262D+01 -0.803227D+00  0.527019D+02  0.361277D+01
      6   0.682884D+01 -0.299339D+00  0.347151D+01  0.672973D+01  0.281032D+01
               191           192           193           194           195 
      1   0.147806D+02  0.293624D+01  0.678280D+01 -0.104459D+02 -0.967919D+00
      2  -0.146283D+02 -0.128301D+01 -0.775465D+01  0.968537D+01  0.190875D+01
      3  -0.152324D+00 -0.165323D+01  0.971851D+00  0.760552D+00 -0.940829D+00
      4  -0.345783D+01  0.249334D+01  0.169454D+01 -0.602243D+00  0.235290D+01
      5   0.106712D+01 -0.149584D+01  0.407015D-01  0.287001D+01  0.870116D+00
      6   0.274355D+00 -0.345898D+01  0.721609D+00  0.157641D+01  0.213417D+01
               196           197           198           199           200 
      1   0.453291D+01 -0.271821D+01 -0.584330D+01  0.164483D+01  0.236761D+01
      2  -0.163346D+01  0.362202D+01  0.235381D+01 -0.142968D+01  0.119502D+01
      3  -0.289945D+01 -0.903817D+00  0.348949D+01 -0.215152D+00 -0.356262D+01
      4   0.152357D+01  0.417974D+01  0.196213D+01  0.619953D+01  0.956023D+01
      5   0.966776D+00  0.312771D+01 -0.317820D+01 -0.105432D+02 -0.336371D+01
      6  -0.234929D+01  0.369825D+01 -0.126812D+01 -0.409510D+01 -0.191618D+01
               201           202           203           204           205 
      1  -0.744422D+01 -0.241261D+00 -0.303531D+00  0.308178D+01 -0.109660D+02
      2   0.564920D+01  0.226079D+01  0.180219D+01 -0.300148D+01  0.787022D+01
      3   0.179503D+01 -0.201953D+01 -0.149866D+01 -0.802979D-01  0.309578D+01
      4  -0.544073D+01  0.688456D+01  0.745702D+01 -0.578166D+01 -0.871651D+01
      5   0.138393D+02 -0.676378D+00 -0.619258D+01  0.391467D+01  0.161090D+02
      6   0.532735D+01 -0.165865D+01 -0.370416D+01  0.819247D+01  0.751170D+01
               206           207           208           209           210 
      1   0.590838D+01 -0.708921D+01  0.140538D+02  0.105784D+02  0.597465D+01
      2  -0.542546D+01 -0.860328D+01  0.228260D+01  0.748410D+01 -0.268380D+00
      3  -0.482915D+00  0.156925D+02 -0.163364D+02 -0.180625D+02 -0.570627D+01
      4  -0.135907D+02  0.172521D+02  0.282261D+02  0.345917D+02  0.894147D+01
      5   0.149148D+02 -0.508942D+02  0.848814D+01  0.623533D+01  0.929361D+01
      6   0.130822D+02 -0.294841D+02  0.551733D+01  0.484142D+01  0.636763D+01
               211           212           213           214           215 
      1   0.966114D+01 -0.237749D+01 -0.104955D+01  0.969231D+01 -0.200936D+01
      2   0.876403D+01  0.323351D+02  0.835912D+01 -0.358848D+00  0.125821D+02
      3  -0.184252D+02 -0.299576D+02 -0.730958D+01 -0.933346D+01 -0.105727D+02
      4   0.349574D+02  0.588010D+02  0.163628D+02  0.162552D+02  0.276055D+02
      5   0.703682D+01  0.146753D+02  0.107549D+02  0.119006D+02  0.148409D+02
      6   0.591469D+01  0.130756D+02  0.102618D+02  0.795567D+01  0.129269D+02
               216           217           218           219           220 
      1   0.145843D+01  0.270232D+02  0.146818D+01 -0.205289D+02  0.402313D+01
      2   0.253364D+01 -0.160667D+02 -0.566930D+00  0.118564D+02 -0.174041D+01
      3  -0.399206D+01 -0.109565D+02 -0.901255D+00  0.867252D+01 -0.228272D+01
      4   0.168842D+02  0.231078D+01  0.862956D+01  0.381244D+00  0.154249D+02
      5   0.953868D+01 -0.218634D+02  0.796822D+00  0.244918D+02  0.175761D+00
      6   0.843239D+01 -0.415391D+00  0.173996D+00  0.363843D+00 -0.924112D+00
               221           222           223           224           225 
      1   0.109880D+02  0.786536D+00 -0.471034D+02  0.187367D+01  0.294279D+02
      2  -0.558724D+01 -0.728636D+00  0.281209D+02 -0.153260D+01 -0.242391D+02
      3  -0.540074D+01 -0.579000D-01  0.189824D+02 -0.341064D+00 -0.518880D+01
      4  -0.178235D+01 -0.544997D+01  0.238629D+00 -0.107005D+02  0.108647D+01
      5  -0.531103D+01  0.137389D+01  0.438738D+02  0.156756D+00 -0.725150D+02
      6  -0.615031D+00  0.429484D+01  0.160997D+01  0.432494D+01 -0.208012D+01
               226           227           228           229           230 
      1   0.258081D+02 -0.212255D+02  0.104669D+02 -0.426053D+02  0.304308D+02
      2  -0.122136D+02  0.995820D+01 -0.555536D+01  0.204672D+02 -0.944145D+01
      3  -0.135945D+02  0.112673D+02 -0.491151D+01  0.221381D+02 -0.209893D+02
      4  -0.221483D+02  0.249015D+02 -0.703163D+01  0.420609D+02 -0.666506D+02
      5   0.121256D+02 -0.774333D+01  0.116807D+02 -0.139819D+02  0.242023D+02
      6  -0.252905D+01  0.196867D+01 -0.996306D+00  0.437647D+01 -0.703258D+01
               231           232           233           234           235 
      1  -0.849883D+01  0.203599D+02 -0.744818D+01  0.138450D+02  0.616762D+02
      2   0.508378D+01 -0.112486D+02  0.458267D+01 -0.973871D+01 -0.299105D+02
      3   0.341504D+01 -0.911129D+01  0.286551D+01 -0.410633D+01 -0.317657D+02
      4   0.227820D+02 -0.113904D+02  0.241488D+02 -0.150223D+02  0.342224D+02
      5  -0.188508D+02  0.212980D+02 -0.162083D+02  0.134018D+02  0.252168D+02
      6   0.589866D+01 -0.236953D+01  0.616331D+01 -0.417064D+01  0.524786D+01
               236           237           238           239           240 
      1   0.285390D+02  0.203196D+02  0.561191D+02  0.308929D+02  0.135132D+02
      2  -0.127784D+02 -0.108942D+02 -0.249894D+02 -0.931593D+01 -0.674102D+01
      3  -0.157606D+02 -0.942533D+01 -0.311297D+02 -0.215770D+02 -0.677221D+01
      4   0.278042D+02  0.119412D+02  0.466138D+02  0.430734D+02  0.222777D+02
      5   0.123319D+02  0.202756D+02  0.217391D+02  0.229003D+02  0.208061D+02
      6   0.298889D+01  0.286538D+01  0.677020D+01  0.706994D+01  0.647100D+01
               241           242           243           244           245 
      1   0.366959D+02  0.116335D+02  0.215956D+02  0.753526D+00  0.315697D+01
      2  -0.198116D+02 -0.575070D+01 -0.141330D+02 -0.428046D+01 -0.142317D+01
      3  -0.168843D+02 -0.588281D+01 -0.746260D+01  0.352694D+01 -0.173381D+01
      4   0.187935D+02  0.235755D+02  0.167023D+02  0.588872D+01  0.579228D+01
      5   0.331659D+02  0.171957D+02  0.212042D+02 -0.128057D+02 -0.161436D+01
      6   0.576036D+01  0.656686D+01  0.589823D+01 -0.377096D+01 -0.544924D+00
               246           247           248           249           250 
      1  -0.722886D+01  0.393785D+01  0.492618D+00  0.181784D+01 -0.876859D+01
      2   0.556534D+01 -0.163081D+01 -0.245877D+00 -0.434223D+00  0.888529D+01
      3   0.166352D+01 -0.230704D+01 -0.246741D+00 -0.138362D+01 -0.116699D+00
      4  -0.277266D+01  0.980710D+01  0.471494D+01 -0.731339D+01 -0.433123D+01
      5   0.127629D+02 -0.234776D+01 -0.740932D+01  0.920988D+01  0.178798D+02
      6   0.218394D+01 -0.175591D+01 -0.388842D+01  0.705725D+01  0.330346D+01
               251           252           253           254           255 
      1   0.229319D+01 -0.550460D+01 -0.883778D+02 -0.137169D+02  0.918278D+01
      2   0.494574D+00 -0.134045D+02  0.441781D+02  0.174458D+02 -0.578279D+01
      3  -0.278776D+01  0.189091D+02  0.441997D+02 -0.372890D+01 -0.340000D+01
      4  -0.101514D+02  0.929720D+01 -0.204655D+02  0.253383D+02  0.895417D+01
      5   0.785255D+01 -0.428951D+02  0.112915D+02  0.524397D+01  0.104366D+02
      6   0.623162D+01 -0.119607D+02  0.882775D+01  0.424101D+01  0.427501D+01
               256           257           258           259           260 
      1   0.938429D+01  0.379919D+02 -0.244674D+00  0.269641D+02  0.795960D+00
      2   0.380737D+01 -0.382427D+02  0.856265D+00 -0.970763D+01  0.501824D+01
      3  -0.131917D+02  0.250865D+00 -0.611592D+00 -0.172565D+02 -0.581420D+01
      4   0.349707D+02 -0.153465D+02  0.123564D+02  0.207482D+02  0.206272D+02
      5   0.105131D+02  0.154641D+02  0.130683D+02  0.160081D+02  0.118798D+02
      6   0.716380D+01  0.498178D+01  0.706504D+01  0.812329D+01  0.753302D+01
               261           262           263           264           265 
      1   0.138229D+02  0.450666D+01 -0.671658D+01 -0.134887D+01 -0.442784D+01
      2   0.617878D+01  0.306581D+01 -0.301060D+01 -0.292508D+00 -0.751874D+01
      3  -0.200017D+02 -0.757247D+01  0.972717D+01  0.164138D+01  0.119466D+02
      4   0.156693D+02 -0.133417D+02  0.196700D+02  0.385504D+01  0.244296D+02
      5  -0.280313D+02 -0.457892D+01  0.517046D+01  0.352242D+01  0.601195D+01
      6  -0.900562D+01  0.321547D+01 -0.393836D+01 -0.150806D+01 -0.512563D+01
               266           267           268           269           270 
      1  -0.102043D+02 -0.286549D+01  0.859905D+00 -0.225461D+00 -0.128465D+01
      2   0.363899D+02  0.459591D+01  0.227620D+01 -0.685463D+01  0.168817D+01
      3  -0.261857D+02 -0.173042D+01 -0.313610D+01  0.708010D+01 -0.403524D+00
      4  -0.604353D+02 -0.110587D+02 -0.440698D+01  0.102611D+02 -0.337663D+01
      5  -0.131697D+02 -0.101473D+02  0.192870D+01 -0.306840D+01 -0.215797D+01
      6   0.158471D+02  0.776301D+01 -0.108372D+01  0.349207D+01  0.150025D+01
               271           272           273           274           275 
      1   0.132302D+03  0.144727D+02 -0.455366D+01 -0.176078D+01  0.781385D+01
      2  -0.616523D+02 -0.285705D+01  0.183527D+01  0.440127D+01 -0.200082D+00
      3  -0.706500D+02 -0.116156D+02  0.271839D+01 -0.264048D+01 -0.761377D+01
      4   0.507287D+02  0.207325D+02 -0.183618D+00  0.145749D+02  0.723314D+01
      5   0.376472D+01  0.131304D+01  0.130049D+02 -0.650781D+00 -0.190726D+01
      6  -0.110239D+01  0.130236D+01  0.413606D+01  0.188565D+00 -0.240878D+00
               276           277           278           279           280 
      1   0.300618D+00 -0.167105D+02 -0.171537D+01  0.101453D+02 -0.103501D+00
      2  -0.448474D+00  0.690258D+01 -0.709016D+00 -0.713856D+01  0.402685D+01
      3   0.147856D+00  0.980790D+01  0.242439D+01 -0.300676D+01 -0.392335D+01
      4  -0.212904D+01 -0.815253D+01 -0.576685D+01  0.289509D+01  0.439890D+01
      5  -0.120960D+01  0.144125D+02  0.745527D+00 -0.376943D+00 -0.269196D+01
      6   0.135214D+00  0.411256D+01  0.874102D+00 -0.215236D+00 -0.100254D+01
               281           282           283           284           285 
      1   0.156683D+02 -0.159605D+01  0.113545D+02 -0.348048D+02  0.900113D-01
      2  -0.163359D+02  0.118742D+01 -0.555303D+01  0.560480D+02 -0.115661D+01
      3   0.667555D+00  0.408627D+00 -0.580144D+01 -0.212432D+02  0.106660D+01
      4  -0.778388D+01 -0.192233D+01  0.839780D+01  0.531486D+02 -0.725838D+00
      5   0.134522D+00 -0.279194D+01  0.139335D+01 -0.349012D+01  0.589171D+01
      6  -0.141396D+01 -0.255884D+01 -0.147026D+00  0.410638D+01  0.659360D+01
               286           287           288           289           290 
      1  -0.562436D+01  0.240732D+01 -0.636317D+01  0.699825D+01  0.135002D+01
      2   0.215379D+01 -0.604919D+01  0.507772D+01 -0.657605D+01 -0.228451D+01
      3   0.347057D+01  0.364186D+01  0.128545D+01 -0.422204D+00  0.934494D+00
      4  -0.415697D+01 -0.903677D+01  0.401963D+01  0.448042D+00 -0.303505D+01
      5  -0.155912D+00  0.543904D+01  0.444507D+00  0.442801D+01 -0.977550D+00
      6  -0.762739D+00  0.694413D+01 -0.476059D+00  0.611042D+00 -0.131453D+01
               291           292           293           294           295 
      1   0.620808D+01 -0.505634D+01 -0.649749D+01 -0.568241D+00  0.109045D+02
      2  -0.254151D+01  0.165544D+01  0.355943D+01  0.292256D+01 -0.666896D+01
      3  -0.366657D+01  0.340090D+01  0.293806D+01 -0.235432D+01 -0.423559D+01
      4   0.590404D+00 -0.367656D+01 -0.321295D+01  0.274142D+01  0.611930D+01
      5   0.101749D+01 -0.206927D+01  0.248458D+01 -0.498785D+01  0.103162D+02
      6  -0.972351D+00 -0.769851D+00  0.147460D+00  0.166182D+01  0.212622D+01
               296           297 
      1  -0.120808D+01 -0.121182D+02
      2   0.335722D+01 -0.136614D+02
      3  -0.214914D+01  0.257795D+02
      4   0.939694D+01  0.476026D+00
      5   0.166052D+01  0.459187D+02
      6   0.479238D+01  0.183524D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.705798D+00      0.179396D+01      0.598400D+01
   x          0.430043D+00      0.109306D+01      0.364606D+01
   y         -0.159800D+00     -0.406172D+00     -0.135484D+01
   z          0.536356D+00      0.136328D+01      0.454741D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159673D+03      0.236611D+02      0.263265D+02
   aniso      0.740059D+02      0.109665D+02      0.122019D+02
   xx         0.207844D+03      0.307992D+02      0.342688D+02
   yx        -0.140721D+01     -0.208527D+00     -0.232018D+00
   yy         0.130367D+03      0.193184D+02      0.214947D+02
   zx         0.209508D+01      0.310458D+00      0.345431D+00
   zy        -0.718914D+01     -0.106532D+01     -0.118533D+01
   zz         0.140807D+03      0.208655D+02      0.232160D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170677D+03      0.252918D+02      0.281409D+02
   aniso      0.774336D+02      0.114745D+02      0.127671D+02
   xx         0.221055D+03      0.327570D+02      0.364471D+02
   yx        -0.122851D+01     -0.182046D+00     -0.202553D+00
   yy         0.139912D+03      0.207329D+02      0.230684D+02
   zx         0.205995D+01      0.305253D+00      0.339640D+00
   zy        -0.763972D+01     -0.113209D+01     -0.125962D+01
   zz         0.151064D+03      0.223854D+02      0.249071D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.32021683         -0.96335226         -0.91259901
     6          2.33977432         -1.22295411          1.70887299
     6          0.07173694         -0.95437008         -2.26350032
     6         -2.23733456         -1.20512091         -1.02299306
     6         -2.23097746         -1.45983919          1.59553644
     6          0.02267332         -1.47599383          2.93744475
     6          4.76580916         -1.15621688          3.19054485
     6          5.23564299          1.36558847          4.57101207
     6          5.44216639          3.57451282          2.72452467
     6          7.59071658          1.17429369          6.23014667
     6         -4.70651516         -1.24967653         -2.49013009
     6         -4.93038723          1.17806930         -3.99714303
     8         -4.29500257          1.46233727         -6.16284614
     8         -5.89909388          3.07995506         -2.59094645
     1          4.09505832         -0.75829382         -1.91218383
     1          0.11156181         -0.73267518         -4.29708215
     1         -4.00774535         -1.65418122          2.59389264
     1         -0.02046544         -1.68915360          4.97402781
     1          6.36022973         -1.52569771          1.92737702
     1          4.75513293         -2.67594162          4.59135209
     1          3.60516653          1.70971496          5.80021212
     1          3.74018558          3.76844322          1.57967442
     1          7.04055122          3.30398605          1.44166296
     1          5.74021450          5.34941872          3.73292824
     1          9.26873737          0.81481035          5.07861312
     1          7.42535594         -0.36143208          7.59895365
     1          7.91078646          2.92552165          7.27291746
     1         -6.24672022         -1.25619038         -1.12039143
     6         -4.92017840         -3.55945481         -4.21532508
     1         -5.89098949          4.58128176         -3.64334716
     1         -6.73934865         -3.59089511         -5.18440968
     1         -4.73451622         -5.27962374         -3.09782075
     1         -3.44049678         -3.54032301         -5.64439735

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.705798D+00      0.179396D+01      0.598400D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.705798D+00      0.179396D+01      0.598400D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159673D+03      0.236611D+02      0.263265D+02
   aniso      0.740059D+02      0.109665D+02      0.122019D+02
   xx         0.180979D+03      0.268183D+02      0.298394D+02
   yx         0.666441D+01      0.987564D+00      0.109881D+01
   yy         0.128078D+03      0.189792D+02      0.211172D+02
   zx         0.316571D+02      0.469109D+01      0.521955D+01
   zy         0.167349D+00      0.247985D-01      0.275921D-01
   zz         0.169962D+03      0.251857D+02      0.280229D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.170677D+03      0.252918D+02      0.281409D+02
   aniso      0.774336D+02      0.114745D+02      0.127671D+02
   xx         0.193170D+03      0.286248D+02      0.318494D+02
   yx         0.718494D+01      0.106470D+01      0.118464D+01
   yy         0.137510D+03      0.203769D+02      0.226724D+02
   zx         0.329698D+02      0.488562D+01      0.543599D+01
   zy         0.251179D+00      0.372208D-01      0.414138D-01
   zz         0.181352D+03      0.268736D+02      0.299009D+02

 ----------------------------------------------------------------------
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 A MAN IS EXACTLY AS GREAT AS THE TIDE SURGING
 BENEATH HIM.      - BISMARCK
 Job cpu time:       2 days  2 hours 59 minutes 38.1 seconds.
 Elapsed time:       0 days  6 hours 22 minutes 32.9 seconds.
 File lengths (MBytes):  RWF=    703 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 16:02:53 2021.
